1-[2-[(2-methylquinolin-4-yl)carbamoylamino]ethyl]-N-naphthalen-1-ylpiperidine-3-carboxamide

C29H31N5O2 — CID 11317629

IUPAC1-[2-[(2-methylquinolin-4-yl)carbamoylamino]ethyl]-N-naphthalen-1-ylpiperidine-3-carboxamide
SMILESCc1cc(NC(=O)NCCN2CCCC(C(=O)Nc3cccc4ccccc34)C2)c2ccccc2n1
InChIInChI=1S/C29H31N5O2/c1-20-18-27(24-12-4-5-13-26(24)31-20)33-29(36)30-15-17-34-16-7-10-22(19-34)28(35)32-25-14-6-9-21-8-2-3-11-23(21)25/h2-6,8-9,11-14,18,22H,7,10,15-17,19H2,1H3,(H,32,35)(H2,30,31,33,36)
InChIKeyCSDXVMMTOOYUKP-UHFFFAOYSA-N
MW481.60 g/mol
LogP5.17
Rot. Bonds6

About 1-[2-[(2-methylquinolin-4-yl)carbamoylamino]ethyl]-N-naphthalen-1-ylpiperidine-3-carboxamide

1-[2-[(2-methylquinolin-4-yl)carbamoylamino]ethyl]-N-naphthalen-1-ylpiperidine-3-carboxamide (PubChem CID 11317629) has the molecular formula C29H31N5O2 and a molecular weight of 481.60 g/mol. Its IUPAC name is 1-[2-[(2-methylquinolin-4-yl)carbamoylamino]ethyl]-N-naphthalen-1-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-[(2-methylquinolin-4-yl)carbamoylamino]ethyl]-N-naphthalen-1-ylpiperidine-3-carboxamide
PubChem CID11317629
Molecular FormulaC29H31N5O2
Molecular Weight481.60 g/mol
Exact Mass481.25
IUPAC Name1-[2-[(2-methylquinolin-4-yl)carbamoylamino]ethyl]-N-naphthalen-1-ylpiperidine-3-carboxamide
SMILESCc1cc(NC(=O)NCCN2CCCC(C(=O)Nc3cccc4ccccc34)C2)c2ccccc2n1
InChIInChI=1S/C29H31N5O2/c1-20-18-27(24-12-4-5-13-26(24)31-20)33-29(36)30-15-17-34-16-7-10-22(19-34)28(35)32-25-14-6-9-21-8-2-3-11-23(21)25/h2-6,8-9,11-14,18,22H,7,10,15-17,19H2,1H3,(H,32,35)(H2,30,31,33,36)
InChIKeyCSDXVMMTOOYUKP-UHFFFAOYSA-N
XLogP5.17
TPSA86.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.60
LogP ≤ 55.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(2-methylquinolin-4-yl)carbamoylamino]ethyl]-N-(4-phenylbutyl)piperidine-3-carboxamide
CID 11260308
1-(2-methylquinolin-4-yl)-3-[2-(4-phenylpiperidin-1-yl)ethyl]urea
CID 10150609
1-[2-[3-[benzenesulfonyl(methyl)amino]pyrrolidin-1-yl]ethyl]-3-(2-methylquinolin-4-yl)urea
CID 10151832
1-[2-[4-[2-(3-methylphenyl)ethyl]piperidin-1-yl]ethyl]-3-(2-methylquinolin-4-yl)urea
CID 174475479
(3S)-1-[3-(naphthalen-1-ylcarbamoylamino)propyl]piperidine-3-carboxamide
CID 52516463
1-[2-[3-[(3-methoxyphenyl)sulfonyl-methylamino]pyrrolidin-1-yl]ethyl]-3-(2-methylquinolin-4-yl)urea
CID 10217759
(3S)-1-(4-methoxy-6-methylpyrimidin-2-yl)-N-naphthalen-1-ylpiperidine-3-carboxamide
CID 1443860
N-benzyl-1-[2-[(2-methylquinolin-4-yl)carbamoylamino]ethyl]-N-phenylpiperidine-4-carboxamide
CID 69220967
1-[2-(aziridin-1-yl)ethyl]-3-naphthalen-1-ylurea
CID 598105
(3R)-1-[(2-chlorophenyl)methyl]-N-naphthalen-1-ylpiperidine-3-carboxamide
CID 93490606
N-butyl-4-[2-[(2-methylquinolin-4-yl)carbamoylamino]ethyl]piperazine-1-carboxamide
CID 11407286
1-[(2-fluorophenyl)methyl]-N-naphthalen-1-ylpiperidine-3-carboxamide
CID 43919580

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-methylquinolin-4-yl)carbamoylamino]ethyl]-N-naphthalen-1-ylpiperidine-3-carboxamide?
The IUPAC name of 1-[2-[(2-methylquinolin-4-yl)carbamoylamino]ethyl]-N-naphthalen-1-ylpiperidine-3-carboxamide (CID 11317629) is 1-[2-[(2-methylquinolin-4-yl)carbamoylamino]ethyl]-N-naphthalen-1-ylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[2-[(2-methylquinolin-4-yl)carbamoylamino]ethyl]-N-naphthalen-1-ylpiperidine-3-carboxamide?
The canonical SMILES for 1-[2-[(2-methylquinolin-4-yl)carbamoylamino]ethyl]-N-naphthalen-1-ylpiperidine-3-carboxamide is Cc1cc(NC(=O)NCCN2CCCC(C(=O)Nc3cccc4ccccc34)C2)c2ccccc2n1.
What is the InChIKey of 1-[2-[(2-methylquinolin-4-yl)carbamoylamino]ethyl]-N-naphthalen-1-ylpiperidine-3-carboxamide?
The InChIKey is CSDXVMMTOOYUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N5O2/c1-20-18-27(24-12-4-5-13-26(24)31-20)33-29(36)30-15-17-34-16-7-10-22(19-34)28(35)32-25-14-6-9-21-8-2-3-11-23(21)25/h2-6,8-9,11-14,18,22H,7,10,15-17,19H2,1H3,(H,32,35)(H2,30,31,33,36).
What are the key properties of 1-[2-[(2-methylquinolin-4-yl)carbamoylamino]ethyl]-N-naphthalen-1-ylpiperidine-3-carboxamide?
1-[2-[(2-methylquinolin-4-yl)carbamoylamino]ethyl]-N-naphthalen-1-ylpiperidine-3-carboxamide has a molecular weight of 481.60 g/mol, XLogP of 5.17, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-methylquinolin-4-yl)carbamoylamino]ethyl]-N-naphthalen-1-ylpiperidine-3-carboxamide is sourced from PubChem (CID 11317629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).