N-[4-(4-chlorophenyl)-1-[1-(cyclopropylmethyl)piperidine-4-carbonyl]pyrrolidin-3-yl]-4-methoxy-N-methyl-3-(trifluoromethyl)benzamide;N-[(3S,4R)-4-(3,4-dichlorophenyl)-1-[1-(1-methylcyclopropanecarbonyl)piperidine-4-carbonyl]pyrrolidin-3-yl]-4-methoxy-N-methyl-3-(trifluoromethyl)benzamide

C61H69Cl3F6N6O7 — CID 87241696

IUPACN-[4-(4-chlorophenyl)-1-[1-(cyclopropylmethyl)piperidine-4-carbonyl]pyrrolidin-3-yl]-4-methoxy-N-methyl-3-(trifluoromethyl)benzamide;N-[(3S,4R)-4-(3,4-dichlorophenyl)-1-[1-(1-methylcyclopropanecarbonyl)piperidine-4-carbonyl]pyrrolidin-3-yl]-4-methoxy-N-methyl-3-(trifluoromethyl)benzamide
SMILESCOc1ccc(C(=O)N(C)C2CN(C(=O)C3CCN(CC4CC4)CC3)CC2c2ccc(Cl)cc2)cc1C(F)(F)F.COc1ccc(C(=O)N(C)[C@@H]2CN(C(=O)C3CCN(C(=O)C4(C)CC4)CC3)C[C@H]2c2ccc(Cl)c(Cl)c2)cc1C(F)(F)F
InChIInChI=1S/C31H34Cl2F3N3O4.C30H35ClF3N3O3/c1-30(10-11-30)29(42)38-12-8-18(9-13-38)28(41)39-16-21(19-4-6-23(32)24(33)15-19)25(17-39)37(2)27(40)20-5-7-26(43-3)22(14-20)31(34,35)36;1-35(28(38)22-7-10-27(40-2)25(15-22)30(32,33)34)26-18-37(17-24(26)20-5-8-23(31)9-6-20)29(39)21-11-13-36(14-12-21)16-19-3-4-19/h4-7,14-15,18,21,25H,8-13,16-17H2,1-3H3;5-10,15,19,21,24,26H,3-4,11-14,16-18H2,1-2H3/t21-,25+;/m0./s1
InChIKeyOSUHVAPZJYXDGE-XSHMPXIGSA-N
MW1218.60 g/mol
LogP11.68
Rot. Bonds13

About N-[4-(4-chlorophenyl)-1-[1-(cyclopropylmethyl)piperidine-4-carbonyl]pyrrolidin-3-yl]-4-methoxy-N-methyl-3-(trifluoromethyl)benzamide;N-[(3S,4R)-4-(3,4-dichlorophenyl)-1-[1-(1-methylcyclopropanecarbonyl)piperidine-4-carbonyl]pyrrolidin-3-yl]-4-methoxy-N-methyl-3-(trifluoromethyl)benzamide

N-[4-(4-chlorophenyl)-1-[1-(cyclopropylmethyl)piperidine-4-carbonyl]pyrrolidin-3-yl]-4-methoxy-N-methyl-3-(trifluoromethyl)benzamide;N-[(3S,4R)-4-(3,4-dichlorophenyl)-1-[1-(1-methylcyclopropanecarbonyl)piperidine-4-carbonyl]pyrrolidin-3-yl]-4-methoxy-N-methyl-3-(trifluoromethyl)benzamide (PubChem CID 87241696) has the molecular formula C61H69Cl3F6N6O7 and a molecular weight of 1218.60 g/mol. Its IUPAC name is N-[4-(4-chlorophenyl)-1-[1-(cyclopropylmethyl)piperidine-4-carbonyl]pyrrolidin-3-yl]-4-methoxy-N-methyl-3-(trifluoromethyl)benzamide;N-[(3S,4R)-4-(3,4-dichlorophenyl)-1-[1-(1-methylcyclopropanecarbonyl)piperidine-4-carbonyl]pyrrolidin-3-yl]-4-methoxy-N-methyl-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[4-(4-chlorophenyl)-1-[1-(cyclopropylmethyl)piperidine-4-carbonyl]pyrrolidin-3-yl]-4-methoxy-N-methyl-3-(trifluoromethyl)benzamide;N-[(3S,4R)-4-(3,4-dichlorophenyl)-1-[1-(1-methylcyclopropanecarbonyl)piperidine-4-carbonyl]pyrrolidin-3-yl]-4-methoxy-N-methyl-3-(trifluoromethyl)benzamide
PubChem CID87241696
Molecular FormulaC61H69Cl3F6N6O7
Molecular Weight1218.60 g/mol
Exact Mass1216.42
IUPAC NameN-[4-(4-chlorophenyl)-1-[1-(cyclopropylmethyl)piperidine-4-carbonyl]pyrrolidin-3-yl]-4-methoxy-N-methyl-3-(trifluoromethyl)benzamide;N-[(3S,4R)-4-(3,4-dichlorophenyl)-1-[1-(1-methylcyclopropanecarbonyl)piperidine-4-carbonyl]pyrrolidin-3-yl]-4-methoxy-N-methyl-3-(trifluoromethyl)benzamide
SMILESCOc1ccc(C(=O)N(C)C2CN(C(=O)C3CCN(CC4CC4)CC3)CC2c2ccc(Cl)cc2)cc1C(F)(F)F.COc1ccc(C(=O)N(C)[C@@H]2CN(C(=O)C3CCN(C(=O)C4(C)CC4)CC3)C[C@H]2c2ccc(Cl)c(Cl)c2)cc1C(F)(F)F
InChIInChI=1S/C31H34Cl2F3N3O4.C30H35ClF3N3O3/c1-30(10-11-30)29(42)38-12-8-18(9-13-38)28(41)39-16-21(19-4-6-23(32)24(33)15-19)25(17-39)37(2)27(40)20-5-7-26(43-3)22(14-20)31(34,35)36;1-35(28(38)22-7-10-27(40-2)25(15-22)30(32,33)34)26-18-37(17-24(26)20-5-8-23(31)9-6-20)29(39)21-11-13-36(14-12-21)16-19-3-4-19/h4-7,14-15,18,21,25H,8-13,16-17H2,1-3H3;5-10,15,19,21,24,26H,3-4,11-14,16-18H2,1-2H3/t21-,25+;/m0./s1
InChIKeyOSUHVAPZJYXDGE-XSHMPXIGSA-N
XLogP11.68
TPSA123.25 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms83
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001218.60
LogP ≤ 511.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze N-[4-(4-chlorophenyl)-1-[1-(cyclopropylmethyl)piperidine-4-carbonyl]pyrrolidin-3-yl]-4-methoxy-N-methyl-3-(trifluoromethyl)benzamide;N-[(3S,4R)-4-(3,4-dichlorophenyl)-1-[1-(1-methylcyclopropanecarbonyl)piperidine-4-carbonyl]pyrrolidin-3-yl]-4-methoxy-N-methyl-3-(trifluoromethyl)benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenyl)-1-[1-(cyclopropylmethyl)piperidine-4-carbonyl]pyrrolidin-3-yl]-4-methoxy-N-methyl-3-(trifluoromethyl)benzamide;N-[(3S,4R)-4-(3,4-dichlorophenyl)-1-[1-(1-methylcyclopropanecarbonyl)piperidine-4-carbonyl]pyrrolidin-3-yl]-4-methoxy-N-methyl-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[4-(4-chlorophenyl)-1-[1-(cyclopropylmethyl)piperidine-4-carbonyl]pyrrolidin-3-yl]-4-methoxy-N-methyl-3-(trifluoromethyl)benzamide;N-[(3S,4R)-4-(3,4-dichlorophenyl)-1-[1-(1-methylcyclopropanecarbonyl)piperidine-4-carbonyl]pyrrolidin-3-yl]-4-methoxy-N-methyl-3-(trifluoromethyl)benzamide (CID 87241696) is N-[4-(4-chlorophenyl)-1-[1-(cyclopropylmethyl)piperidine-4-carbonyl]pyrrolidin-3-yl]-4-methoxy-N-methyl-3-(trifluoromethyl)benzamide;N-[(3S,4R)-4-(3,4-dichlorophenyl)-1-[1-(1-methylcyclopropanecarbonyl)piperidine-4-carbonyl]pyrrolidin-3-yl]-4-methoxy-N-methyl-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[4-(4-chlorophenyl)-1-[1-(cyclopropylmethyl)piperidine-4-carbonyl]pyrrolidin-3-yl]-4-methoxy-N-methyl-3-(trifluoromethyl)benzamide;N-[(3S,4R)-4-(3,4-dichlorophenyl)-1-[1-(1-methylcyclopropanecarbonyl)piperidine-4-carbonyl]pyrrolidin-3-yl]-4-methoxy-N-methyl-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[4-(4-chlorophenyl)-1-[1-(cyclopropylmethyl)piperidine-4-carbonyl]pyrrolidin-3-yl]-4-methoxy-N-methyl-3-(trifluoromethyl)benzamide;N-[(3S,4R)-4-(3,4-dichlorophenyl)-1-[1-(1-methylcyclopropanecarbonyl)piperidine-4-carbonyl]pyrrolidin-3-yl]-4-methoxy-N-methyl-3-(trifluoromethyl)benzamide is COc1ccc(C(=O)N(C)C2CN(C(=O)C3CCN(CC4CC4)CC3)CC2c2ccc(Cl)cc2)cc1C(F)(F)F.COc1ccc(C(=O)N(C)[C@@H]2CN(C(=O)C3CCN(C(=O)C4(C)CC4)CC3)C[C@H]2c2ccc(Cl)c(Cl)c2)cc1C(F)(F)F.
What is the InChIKey of N-[4-(4-chlorophenyl)-1-[1-(cyclopropylmethyl)piperidine-4-carbonyl]pyrrolidin-3-yl]-4-methoxy-N-methyl-3-(trifluoromethyl)benzamide;N-[(3S,4R)-4-(3,4-dichlorophenyl)-1-[1-(1-methylcyclopropanecarbonyl)piperidine-4-carbonyl]pyrrolidin-3-yl]-4-methoxy-N-methyl-3-(trifluoromethyl)benzamide?
The InChIKey is OSUHVAPZJYXDGE-XSHMPXIGSA-N. The full InChI is InChI=1S/C31H34Cl2F3N3O4.C30H35ClF3N3O3/c1-30(10-11-30)29(42)38-12-8-18(9-13-38)28(41)39-16-21(19-4-6-23(32)24(33)15-19)25(17-39)37(2)27(40)20-5-7-26(43-3)22(14-20)31(34,35)36;1-35(28(38)22-7-10-27(40-2)25(15-22)30(32,33)34)26-18-37(17-24(26)20-5-8-23(31)9-6-20)29(39)21-11-13-36(14-12-21)16-19-3-4-19/h4-7,14-15,18,21,25H,8-13,16-17H2,1-3H3;5-10,15,19,21,24,26H,3-4,11-14,16-18H2,1-2H3/t21-,25+;/m0./s1.
What are the key properties of N-[4-(4-chlorophenyl)-1-[1-(cyclopropylmethyl)piperidine-4-carbonyl]pyrrolidin-3-yl]-4-methoxy-N-methyl-3-(trifluoromethyl)benzamide;N-[(3S,4R)-4-(3,4-dichlorophenyl)-1-[1-(1-methylcyclopropanecarbonyl)piperidine-4-carbonyl]pyrrolidin-3-yl]-4-methoxy-N-methyl-3-(trifluoromethyl)benzamide?
N-[4-(4-chlorophenyl)-1-[1-(cyclopropylmethyl)piperidine-4-carbonyl]pyrrolidin-3-yl]-4-methoxy-N-methyl-3-(trifluoromethyl)benzamide;N-[(3S,4R)-4-(3,4-dichlorophenyl)-1-[1-(1-methylcyclopropanecarbonyl)piperidine-4-carbonyl]pyrrolidin-3-yl]-4-methoxy-N-methyl-3-(trifluoromethyl)benzamide has a molecular weight of 1218.60 g/mol, XLogP of 11.68, 13 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenyl)-1-[1-(cyclopropylmethyl)piperidine-4-carbonyl]pyrrolidin-3-yl]-4-methoxy-N-methyl-3-(trifluoromethyl)benzamide;N-[(3S,4R)-4-(3,4-dichlorophenyl)-1-[1-(1-methylcyclopropanecarbonyl)piperidine-4-carbonyl]pyrrolidin-3-yl]-4-methoxy-N-methyl-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 87241696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).