4-(4-benzyl-3-propanoylquinolin-6-yl)-N-butylpiperidine-1-carboxamide

C29H35N3O2 — CID 159412540

IUPAC4-(4-benzyl-3-propanoylquinolin-6-yl)-N-butylpiperidine-1-carboxamide
SMILESCCCCNC(=O)N1CCC(c2ccc3ncc(C(=O)CC)c(Cc4ccccc4)c3c2)CC1
InChIInChI=1S/C29H35N3O2/c1-3-5-15-30-29(34)32-16-13-22(14-17-32)23-11-12-27-25(19-23)24(18-21-9-7-6-8-10-21)26(20-31-27)28(33)4-2/h6-12,19-20,22H,3-5,13-18H2,1-2H3,(H,30,34)
InChIKeyUNCFJSQUSLKKAE-UHFFFAOYSA-N
MW457.62 g/mol
LogP6.11
Rot. Bonds8

About 4-(4-benzyl-3-propanoylquinolin-6-yl)-N-butylpiperidine-1-carboxamide

4-(4-benzyl-3-propanoylquinolin-6-yl)-N-butylpiperidine-1-carboxamide (PubChem CID 159412540) has the molecular formula C29H35N3O2 and a molecular weight of 457.62 g/mol. Its IUPAC name is 4-(4-benzyl-3-propanoylquinolin-6-yl)-N-butylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-(4-benzyl-3-propanoylquinolin-6-yl)-N-butylpiperidine-1-carboxamide
PubChem CID159412540
Molecular FormulaC29H35N3O2
Molecular Weight457.62 g/mol
Exact Mass457.27
IUPAC Name4-(4-benzyl-3-propanoylquinolin-6-yl)-N-butylpiperidine-1-carboxamide
SMILESCCCCNC(=O)N1CCC(c2ccc3ncc(C(=O)CC)c(Cc4ccccc4)c3c2)CC1
InChIInChI=1S/C29H35N3O2/c1-3-5-15-30-29(34)32-16-13-22(14-17-32)23-11-12-27-25(19-23)24(18-21-9-7-6-8-10-21)26(20-31-27)28(33)4-2/h6-12,19-20,22H,3-5,13-18H2,1-2H3,(H,30,34)
InChIKeyUNCFJSQUSLKKAE-UHFFFAOYSA-N
XLogP6.11
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.62
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(3-acetyl-4-benzylquinolin-6-yl)-N-butylpyrazine-2-carboxamide
CID 158034486
4-[(4-phenylpiperidine-1-carbonyl)amino]butanoic acid
CID 122021606
N-(4,4-diethoxybutyl)-4-phenylpiperidine-1-carboxamide
CID 66937642
N-butyl-4-phenylpiperazine-1-carboxamide
CID 3547607
N-[1-(butylcarbamoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 127165622
1-[1-(butylcarbamoyl)piperidin-4-yl]pyrrole-2-carboxylic acid
CID 62715725
N-benzyl-4-[2-(methylamino)ethyl]piperidine-1-carboxamide
CID 107654135
4-(1,3-benzoxazol-2-yl)-N-propylpiperidine-1-carboxamide
CID 3761940
N-butyl-4-tert-butylpiperidine-1-carboxamide
CID 113237148
1-N-butyl-5-(3,4-dimethoxyphenyl)-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide
CID 42865453
N-butylaziridine-1-carboxamide
CID 55206947
N-butyl-4-(3-pyridin-4-yl-1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 126822230

Frequently Asked Questions

What is the IUPAC name of 4-(4-benzyl-3-propanoylquinolin-6-yl)-N-butylpiperidine-1-carboxamide?
The IUPAC name of 4-(4-benzyl-3-propanoylquinolin-6-yl)-N-butylpiperidine-1-carboxamide (CID 159412540) is 4-(4-benzyl-3-propanoylquinolin-6-yl)-N-butylpiperidine-1-carboxamide.
What is the SMILES notation for 4-(4-benzyl-3-propanoylquinolin-6-yl)-N-butylpiperidine-1-carboxamide?
The canonical SMILES for 4-(4-benzyl-3-propanoylquinolin-6-yl)-N-butylpiperidine-1-carboxamide is CCCCNC(=O)N1CCC(c2ccc3ncc(C(=O)CC)c(Cc4ccccc4)c3c2)CC1.
What is the InChIKey of 4-(4-benzyl-3-propanoylquinolin-6-yl)-N-butylpiperidine-1-carboxamide?
The InChIKey is UNCFJSQUSLKKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N3O2/c1-3-5-15-30-29(34)32-16-13-22(14-17-32)23-11-12-27-25(19-23)24(18-21-9-7-6-8-10-21)26(20-31-27)28(33)4-2/h6-12,19-20,22H,3-5,13-18H2,1-2H3,(H,30,34).
What are the key properties of 4-(4-benzyl-3-propanoylquinolin-6-yl)-N-butylpiperidine-1-carboxamide?
4-(4-benzyl-3-propanoylquinolin-6-yl)-N-butylpiperidine-1-carboxamide has a molecular weight of 457.62 g/mol, XLogP of 6.11, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzyl-3-propanoylquinolin-6-yl)-N-butylpiperidine-1-carboxamide is sourced from PubChem (CID 159412540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).