N-benzyl-1-[2-[(2-methylquinolin-4-yl)carbamoylamino]ethyl]-N-phenylpiperidine-4-carboxamide

C32H35N5O2 — CID 69220967

IUPACN-benzyl-1-[2-[(2-methylquinolin-4-yl)carbamoylamino]ethyl]-N-phenylpiperidine-4-carboxamide
SMILESCc1cc(NC(=O)NCCN2CCC(C(=O)N(Cc3ccccc3)c3ccccc3)CC2)c2ccccc2n1
InChIInChI=1S/C32H35N5O2/c1-24-22-30(28-14-8-9-15-29(28)34-24)35-32(39)33-18-21-36-19-16-26(17-20-36)31(38)37(27-12-6-3-7-13-27)23-25-10-4-2-5-11-25/h2-15,22,26H,16-21,23H2,1H3,(H2,33,34,35,39)
InChIKeyGNCLCSLXLJAUGV-UHFFFAOYSA-N
MW521.67 g/mol
LogP5.61
Rot. Bonds8

About N-benzyl-1-[2-[(2-methylquinolin-4-yl)carbamoylamino]ethyl]-N-phenylpiperidine-4-carboxamide

N-benzyl-1-[2-[(2-methylquinolin-4-yl)carbamoylamino]ethyl]-N-phenylpiperidine-4-carboxamide (PubChem CID 69220967) has the molecular formula C32H35N5O2 and a molecular weight of 521.67 g/mol. Its IUPAC name is N-benzyl-1-[2-[(2-methylquinolin-4-yl)carbamoylamino]ethyl]-N-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-[2-[(2-methylquinolin-4-yl)carbamoylamino]ethyl]-N-phenylpiperidine-4-carboxamide
PubChem CID69220967
Molecular FormulaC32H35N5O2
Molecular Weight521.67 g/mol
Exact Mass521.28
IUPAC NameN-benzyl-1-[2-[(2-methylquinolin-4-yl)carbamoylamino]ethyl]-N-phenylpiperidine-4-carboxamide
SMILESCc1cc(NC(=O)NCCN2CCC(C(=O)N(Cc3ccccc3)c3ccccc3)CC2)c2ccccc2n1
InChIInChI=1S/C32H35N5O2/c1-24-22-30(28-14-8-9-15-29(28)34-24)35-32(39)33-18-21-36-19-16-26(17-20-36)31(38)37(27-12-6-3-7-13-27)23-25-10-4-2-5-11-25/h2-15,22,26H,16-21,23H2,1H3,(H2,33,34,35,39)
InChIKeyGNCLCSLXLJAUGV-UHFFFAOYSA-N
XLogP5.61
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.67
LogP ≤ 55.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methylquinolin-4-yl)-3-[2-(4-phenylpiperidin-1-yl)ethyl]urea
CID 10150609
1-[2-[4-[2-(3-methylphenyl)ethyl]piperidin-1-yl]ethyl]-3-(2-methylquinolin-4-yl)urea
CID 174475479
1-[2-[3-[benzenesulfonyl(methyl)amino]pyrrolidin-1-yl]ethyl]-3-(2-methylquinolin-4-yl)urea
CID 10151832
1-[2-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-3-(2-methylquinolin-4-yl)urea
CID 11465185
1-[2-[(2-methylquinolin-4-yl)carbamoylamino]ethyl]-N-(4-phenylbutyl)piperidine-3-carboxamide
CID 11260308
1-[2-[(2-methylquinolin-4-yl)carbamoylamino]ethyl]-N-naphthalen-1-ylpiperidine-3-carboxamide
CID 11317629
N-butyl-4-[2-[(2-methylquinolin-4-yl)carbamoylamino]ethyl]piperazine-1-carboxamide
CID 11407286
1-[2-[4-[2-(4-bromophenyl)acetyl]piperazin-1-yl]ethyl]-3-(2-methylquinolin-4-yl)urea
CID 11272188
1-(2-methylquinolin-4-yl)-3-[2-[4-[[2-(trifluoromethyl)phenyl]sulfonylamino]piperidin-1-yl]ethyl]urea
CID 10174859
N-(4-fluorophenyl)-4-[2-[(2-methylquinolin-4-yl)carbamoylamino]ethyl]piperazine-1-carboxamide
CID 11166837
1-(2-methylquinolin-4-yl)-3-[2-[4-(quinoline-6-carbonyl)piperazin-1-yl]ethyl]urea
CID 11442740
1-[2-(4-benzylpiperidin-1-yl)ethyl]-3-(2,6-dimethyl-4-pyridinyl)urea
CID 11268609

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[2-[(2-methylquinolin-4-yl)carbamoylamino]ethyl]-N-phenylpiperidine-4-carboxamide?
The IUPAC name of N-benzyl-1-[2-[(2-methylquinolin-4-yl)carbamoylamino]ethyl]-N-phenylpiperidine-4-carboxamide (CID 69220967) is N-benzyl-1-[2-[(2-methylquinolin-4-yl)carbamoylamino]ethyl]-N-phenylpiperidine-4-carboxamide.
What is the SMILES notation for N-benzyl-1-[2-[(2-methylquinolin-4-yl)carbamoylamino]ethyl]-N-phenylpiperidine-4-carboxamide?
The canonical SMILES for N-benzyl-1-[2-[(2-methylquinolin-4-yl)carbamoylamino]ethyl]-N-phenylpiperidine-4-carboxamide is Cc1cc(NC(=O)NCCN2CCC(C(=O)N(Cc3ccccc3)c3ccccc3)CC2)c2ccccc2n1.
What is the InChIKey of N-benzyl-1-[2-[(2-methylquinolin-4-yl)carbamoylamino]ethyl]-N-phenylpiperidine-4-carboxamide?
The InChIKey is GNCLCSLXLJAUGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35N5O2/c1-24-22-30(28-14-8-9-15-29(28)34-24)35-32(39)33-18-21-36-19-16-26(17-20-36)31(38)37(27-12-6-3-7-13-27)23-25-10-4-2-5-11-25/h2-15,22,26H,16-21,23H2,1H3,(H2,33,34,35,39).
What are the key properties of N-benzyl-1-[2-[(2-methylquinolin-4-yl)carbamoylamino]ethyl]-N-phenylpiperidine-4-carboxamide?
N-benzyl-1-[2-[(2-methylquinolin-4-yl)carbamoylamino]ethyl]-N-phenylpiperidine-4-carboxamide has a molecular weight of 521.67 g/mol, XLogP of 5.61, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[2-[(2-methylquinolin-4-yl)carbamoylamino]ethyl]-N-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 69220967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).