1-acetyl-N-[3-[4-[(4-carbamoylphenyl)methyl]piperidin-1-yl]propyl]-N-(3,4-dichlorophenyl)piperidine-4-carboxamide

C30H38Cl2N4O3 — CID 5275765

IUPAC1-acetyl-N-[3-[4-[(4-carbamoylphenyl)methyl]piperidin-1-yl]propyl]-N-(3,4-dichlorophenyl)piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)N(CCCN2CCC(Cc3ccc(C(N)=O)cc3)CC2)c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C30H38Cl2N4O3/c1-21(37)35-17-11-25(12-18-35)30(39)36(26-7-8-27(31)28(32)20-26)14-2-13-34-15-9-23(10-16-34)19-22-3-5-24(6-4-22)29(33)38/h3-8,20,23,25H,2,9-19H2,1H3,(H2,33,38)
InChIKeyQZEGJCQISZVRDI-UHFFFAOYSA-N
MW573.57 g/mol
LogP5.03
Rot. Bonds9

About 1-acetyl-N-[3-[4-[(4-carbamoylphenyl)methyl]piperidin-1-yl]propyl]-N-(3,4-dichlorophenyl)piperidine-4-carboxamide

1-acetyl-N-[3-[4-[(4-carbamoylphenyl)methyl]piperidin-1-yl]propyl]-N-(3,4-dichlorophenyl)piperidine-4-carboxamide (PubChem CID 5275765) has the molecular formula C30H38Cl2N4O3 and a molecular weight of 573.57 g/mol. Its IUPAC name is 1-acetyl-N-[3-[4-[(4-carbamoylphenyl)methyl]piperidin-1-yl]propyl]-N-(3,4-dichlorophenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[3-[4-[(4-carbamoylphenyl)methyl]piperidin-1-yl]propyl]-N-(3,4-dichlorophenyl)piperidine-4-carboxamide
PubChem CID5275765
Molecular FormulaC30H38Cl2N4O3
Molecular Weight573.57 g/mol
Exact Mass572.23
IUPAC Name1-acetyl-N-[3-[4-[(4-carbamoylphenyl)methyl]piperidin-1-yl]propyl]-N-(3,4-dichlorophenyl)piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)N(CCCN2CCC(Cc3ccc(C(N)=O)cc3)CC2)c2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C30H38Cl2N4O3/c1-21(37)35-17-11-25(12-18-35)30(39)36(26-7-8-27(31)28(32)20-26)14-2-13-34-15-9-23(10-16-34)19-22-3-5-24(6-4-22)29(33)38/h3-8,20,23,25H,2,9-19H2,1H3,(H2,33,38)
InChIKeyQZEGJCQISZVRDI-UHFFFAOYSA-N
XLogP5.03
TPSA86.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.57
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Tak-220
CID 5275766
1-(3-Chlorophenyl)-4-(4-methylbenzoyl)piperazine
CID 749123
N-(4-(4-(2,3-dichlorophenyl)piperazin-1-yl)-trans-but-2-enyl)-4-(6-oxo-1,6-dihydropyridin-2-yl)benzamide
CID 44427820
3-[4-[1-[[2-[3,4-dichloro-N-(cyanomethyl)anilino]acetyl]-methylamino]-2-pyrrolidin-1-ylethyl]phenyl]benzamide
CID 44561239
N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-4-phenylbenzamide
CID 11016342
1-acetyl-N-(3,4-dichlorophenyl)-N-[3-[4-[(4-fluorophenyl)methyl]-1-piperidyl]propyl]piperidine-4-carboxamide
CID 3013684
N-{3-[4-(4-carbamoylbenzyl)piperidin-1-yl]propyl}-N-(3,4-dichlorophenyl)-1-(methylsulfonyl)piperidine-4-carboxamide
CID 5275762
N-(3,4-dichlorophenyl)-N-(3-{4-[4-(methylcarbamoyl)benzyl]-piperidin-1-yl}propyl)-1-(methylsulfonyl)piperidine-4-carboxamide
CID 5275763
4-Piperidinecarboxamide, N-(3,4-dichlorophenyl)-N-[3-[4-[[4-[(dimethylamino)carbonyl]phenyl]methyl]-1-piperidinyl]propyl]-1-(methylsulfonyl)-
CID 5275764
N-[3-[4-[[4-(tert-butylcarbamoyl)phenyl]methyl]-1-piperidyl]propyl]-N-(3,4-dichlorophenyl)-1-methylsulfonyl-piperidine-4-carboxamide
CID 11527582
4-Piperidinecarboxamide, N-(3,4-dichlorophenyl)-N-[3-[4-[(4-fluorobenzoyl)amino]-1-piperidinyl]propyl]-1-(methylsulfonyl)-
CID 11578088
N-[1-[4-(3,4-dichlorophenyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 24740170

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[3-[4-[(4-carbamoylphenyl)methyl]piperidin-1-yl]propyl]-N-(3,4-dichlorophenyl)piperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-[3-[4-[(4-carbamoylphenyl)methyl]piperidin-1-yl]propyl]-N-(3,4-dichlorophenyl)piperidine-4-carboxamide (CID 5275765) is 1-acetyl-N-[3-[4-[(4-carbamoylphenyl)methyl]piperidin-1-yl]propyl]-N-(3,4-dichlorophenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-[3-[4-[(4-carbamoylphenyl)methyl]piperidin-1-yl]propyl]-N-(3,4-dichlorophenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-[3-[4-[(4-carbamoylphenyl)methyl]piperidin-1-yl]propyl]-N-(3,4-dichlorophenyl)piperidine-4-carboxamide is CC(=O)N1CCC(C(=O)N(CCCN2CCC(Cc3ccc(C(N)=O)cc3)CC2)c2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of 1-acetyl-N-[3-[4-[(4-carbamoylphenyl)methyl]piperidin-1-yl]propyl]-N-(3,4-dichlorophenyl)piperidine-4-carboxamide?
The InChIKey is QZEGJCQISZVRDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38Cl2N4O3/c1-21(37)35-17-11-25(12-18-35)30(39)36(26-7-8-27(31)28(32)20-26)14-2-13-34-15-9-23(10-16-34)19-22-3-5-24(6-4-22)29(33)38/h3-8,20,23,25H,2,9-19H2,1H3,(H2,33,38).
What are the key properties of 1-acetyl-N-[3-[4-[(4-carbamoylphenyl)methyl]piperidin-1-yl]propyl]-N-(3,4-dichlorophenyl)piperidine-4-carboxamide?
1-acetyl-N-[3-[4-[(4-carbamoylphenyl)methyl]piperidin-1-yl]propyl]-N-(3,4-dichlorophenyl)piperidine-4-carboxamide has a molecular weight of 573.57 g/mol, XLogP of 5.03, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[3-[4-[(4-carbamoylphenyl)methyl]piperidin-1-yl]propyl]-N-(3,4-dichlorophenyl)piperidine-4-carboxamide is sourced from PubChem (CID 5275765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).