N-methyl-3-[methyl-[4-(4-methylphenyl)benzoyl]amino]-N-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide

C31H43N5O2 — CID 58689193

IUPACN-methyl-3-[methyl-[4-(4-methylphenyl)benzoyl]amino]-N-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide
SMILESCc1ccc(-c2ccc(C(=O)N(C)C3CCN(C(=O)N(C)C4CCN(C5CCN(C)CC5)C4)C3)cc2)cc1
InChIInChI=1S/C31H43N5O2/c1-23-5-7-24(8-6-23)25-9-11-26(12-10-25)30(37)33(3)28-16-20-36(22-28)31(38)34(4)29-15-19-35(21-29)27-13-17-32(2)18-14-27/h5-12,27-29H,13-22H2,1-4H3
InChIKeyKFBUMDGXZSQTDQ-UHFFFAOYSA-N
MW517.72 g/mol
LogP4.03
Rot. Bonds5

About N-methyl-3-[methyl-[4-(4-methylphenyl)benzoyl]amino]-N-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide

N-methyl-3-[methyl-[4-(4-methylphenyl)benzoyl]amino]-N-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide (PubChem CID 58689193) has the molecular formula C31H43N5O2 and a molecular weight of 517.72 g/mol. Its IUPAC name is N-methyl-3-[methyl-[4-(4-methylphenyl)benzoyl]amino]-N-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-methyl-3-[methyl-[4-(4-methylphenyl)benzoyl]amino]-N-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide
PubChem CID58689193
Molecular FormulaC31H43N5O2
Molecular Weight517.72 g/mol
Exact Mass517.34
IUPAC NameN-methyl-3-[methyl-[4-(4-methylphenyl)benzoyl]amino]-N-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide
SMILESCc1ccc(-c2ccc(C(=O)N(C)C3CCN(C(=O)N(C)C4CCN(C5CCN(C)CC5)C4)C3)cc2)cc1
InChIInChI=1S/C31H43N5O2/c1-23-5-7-24(8-6-23)25-9-11-26(12-10-25)30(37)33(3)28-16-20-36(22-28)31(38)34(4)29-15-19-35(21-29)27-13-17-32(2)18-14-27/h5-12,27-29H,13-22H2,1-4H3
InChIKeyKFBUMDGXZSQTDQ-UHFFFAOYSA-N
XLogP4.03
TPSA50.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.72
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[4-[3-[methyl-[3-[methyl-[4-(4-methylphenyl)benzoyl]amino]pyrrolidine-1-carbonyl]amino]pyrrolidin-1-yl]cyclohexyl]carbamate
CID 58688935
methane;(3S)-N-methyl-3-[methyl-[4-(4-methylphenyl)benzoyl]amino]-N-[1-(1-oxaspiro[3.5]nonan-7-yl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide;(3S)-N-methyl-3-[methyl-[4-(4-methylphenyl)benzoyl]amino]-N-[1-(4-oxocyclohexyl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide;sulfane
CID 158245058
N-[1-(4-aminocyclohexyl)pyrrolidin-3-yl]-N-methyl-3-[methyl-[4-[4-(trifluoromethyl)phenyl]benzoyl]amino]pyrrolidine-1-carboxamide
CID 140504489
N,4-dimethyl-N-[1-(3-methylbutyl)piperidin-4-yl]benzamide
CID 143233555
4-amino-N-[(3R)-1-cyclohexylpyrrolidin-3-yl]-N-methylbenzamide
CID 12883727
N-[1-[2-[benzyl(methyl)amino]-4-methylphenyl]pyrrolidin-3-yl]-N-methyl-3-[methyl-[4-(4-methylphenyl)benzoyl]amino]pyrrolidine-1-carboxamide
CID 58689080
4-fluoro-N-methyl-N-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]naphthalene-1-carboxamide
CID 167818237
N-[1-[1-(1H-indol-3-yl)propan-2-yl]pyrrolidin-3-yl]-N-methyl-3-[methyl-[4-(4-methylphenyl)benzoyl]amino]pyrrolidine-1-carboxamide
CID 58689251
2-[3-[methyl-[3-[methyl-[4-[4-(trifluoromethyl)phenyl]benzoyl]amino]pyrrolidine-1-carbonyl]amino]pyrrolidin-1-yl]ethyl methanesulfonate
CID 140504481
N-methyl-N-(1-methylpiperidin-4-yl)-4-(2-methyl-4-pyridinyl)benzamide
CID 119058550
4-tert-butyl-N-methyl-N-(1-methylpyrrolidin-3-yl)benzamide
CID 121450358
4-(1,5-dimethylindazol-3-yl)-N-methyl-N-[(3S)-1-methylpyrrolidin-3-yl]benzamide
CID 125441424

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[methyl-[4-(4-methylphenyl)benzoyl]amino]-N-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide?
The IUPAC name of N-methyl-3-[methyl-[4-(4-methylphenyl)benzoyl]amino]-N-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide (CID 58689193) is N-methyl-3-[methyl-[4-(4-methylphenyl)benzoyl]amino]-N-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-methyl-3-[methyl-[4-(4-methylphenyl)benzoyl]amino]-N-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-methyl-3-[methyl-[4-(4-methylphenyl)benzoyl]amino]-N-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide is Cc1ccc(-c2ccc(C(=O)N(C)C3CCN(C(=O)N(C)C4CCN(C5CCN(C)CC5)C4)C3)cc2)cc1.
What is the InChIKey of N-methyl-3-[methyl-[4-(4-methylphenyl)benzoyl]amino]-N-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide?
The InChIKey is KFBUMDGXZSQTDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H43N5O2/c1-23-5-7-24(8-6-23)25-9-11-26(12-10-25)30(37)33(3)28-16-20-36(22-28)31(38)34(4)29-15-19-35(21-29)27-13-17-32(2)18-14-27/h5-12,27-29H,13-22H2,1-4H3.
What are the key properties of N-methyl-3-[methyl-[4-(4-methylphenyl)benzoyl]amino]-N-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide?
N-methyl-3-[methyl-[4-(4-methylphenyl)benzoyl]amino]-N-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide has a molecular weight of 517.72 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[methyl-[4-(4-methylphenyl)benzoyl]amino]-N-[1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 58689193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).