1-(6-acetamido-4-methylquinolin-2-yl)-N-(3-phenylpropyl)piperidine-4-carboxamide

C27H32N4O2 — CID 50825503

IUPAC1-(6-acetamido-4-methylquinolin-2-yl)-N-(3-phenylpropyl)piperidine-4-carboxamide
SMILESCC(=O)Nc1ccc2nc(N3CCC(C(=O)NCCCc4ccccc4)CC3)cc(C)c2c1
InChIInChI=1S/C27H32N4O2/c1-19-17-26(30-25-11-10-23(18-24(19)25)29-20(2)32)31-15-12-22(13-16-31)27(33)28-14-6-9-21-7-4-3-5-8-21/h3-5,7-8,10-11,17-18,22H,6,9,12-16H2,1-2H3,(H,28,33)(H,29,32)
InChIKeyCRZITFGGZNSKSX-UHFFFAOYSA-N
MW444.58 g/mol
LogP4.47
Rot. Bonds7

About 1-(6-acetamido-4-methylquinolin-2-yl)-N-(3-phenylpropyl)piperidine-4-carboxamide

1-(6-acetamido-4-methylquinolin-2-yl)-N-(3-phenylpropyl)piperidine-4-carboxamide (PubChem CID 50825503) has the molecular formula C27H32N4O2 and a molecular weight of 444.58 g/mol. Its IUPAC name is 1-(6-acetamido-4-methylquinolin-2-yl)-N-(3-phenylpropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(6-acetamido-4-methylquinolin-2-yl)-N-(3-phenylpropyl)piperidine-4-carboxamide
PubChem CID50825503
Molecular FormulaC27H32N4O2
Molecular Weight444.58 g/mol
Exact Mass444.25
IUPAC Name1-(6-acetamido-4-methylquinolin-2-yl)-N-(3-phenylpropyl)piperidine-4-carboxamide
SMILESCC(=O)Nc1ccc2nc(N3CCC(C(=O)NCCCc4ccccc4)CC3)cc(C)c2c1
InChIInChI=1S/C27H32N4O2/c1-19-17-26(30-25-11-10-23(18-24(19)25)29-20(2)32)31-15-12-22(13-16-31)27(33)28-14-6-9-21-7-4-3-5-8-21/h3-5,7-8,10-11,17-18,22H,6,9,12-16H2,1-2H3,(H,28,33)(H,29,32)
InChIKeyCRZITFGGZNSKSX-UHFFFAOYSA-N
XLogP4.47
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.58
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N6-[2-[5-(diethylamino)pentan-2-ylamino]-6-methyl-4-pyrimidinyl]-2-methylquinoline-4,6-diamine
CID 409805
N-[4-methyl-2-(4-morpholinyl)-6-quinolinyl]cyclohexanecarboxamide
CID 5067281
1-[2-(Dimethylamino)quinolin-4-yl]-3-phenylurea
CID 2824465
4-Butyl-N-[2-(4-ethyl-piperazin-1-yl)-4-methyl-quinolin-6-yl]-benzamide
CID 3410248
(2E)-3-(3-Chlorophenyl)-N-[2-(4-ethylpiperazin-1-YL)-4-methylquinolin-6-YL]prop-2-enamide
CID 15987648
4-Benzyl-6-nitro-2-piperazin-1-yl-quinoline
CID 44379687
N-(2-(2-azabicyclo[2.2.1]heptan-2-yl)quinolin-6-yl)-3-(4-(trifluoromethyl)phenyl)propanamide
CID 22018944
N-(2-(3-isobutyramidopyrrolidin-1-yl)quinolin-6-yl)-3-(4-(trifluoromethyl)phenyl)propanamide
CID 22018964
(4S)-N-[4-(hydroxymethyl)cyclohexyl]-3,3-dimethyl-1-(8-methylquinolin-2-yl)piperidine-4-carboxamide
CID 121313880
(4S)-N-[(1S,3S)-3-(hydroxymethyl)cyclohexyl]-3,3-dimethyl-1-(8-methylquinolin-2-yl)piperidine-4-carboxamide
CID 121313890
N-(2-quinolinyl)cyclohexanecarboxamide
CID 2812969
Mesmar
CID 3025767

Frequently Asked Questions

What is the IUPAC name of 1-(6-acetamido-4-methylquinolin-2-yl)-N-(3-phenylpropyl)piperidine-4-carboxamide?
The IUPAC name of 1-(6-acetamido-4-methylquinolin-2-yl)-N-(3-phenylpropyl)piperidine-4-carboxamide (CID 50825503) is 1-(6-acetamido-4-methylquinolin-2-yl)-N-(3-phenylpropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(6-acetamido-4-methylquinolin-2-yl)-N-(3-phenylpropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(6-acetamido-4-methylquinolin-2-yl)-N-(3-phenylpropyl)piperidine-4-carboxamide is CC(=O)Nc1ccc2nc(N3CCC(C(=O)NCCCc4ccccc4)CC3)cc(C)c2c1.
What is the InChIKey of 1-(6-acetamido-4-methylquinolin-2-yl)-N-(3-phenylpropyl)piperidine-4-carboxamide?
The InChIKey is CRZITFGGZNSKSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O2/c1-19-17-26(30-25-11-10-23(18-24(19)25)29-20(2)32)31-15-12-22(13-16-31)27(33)28-14-6-9-21-7-4-3-5-8-21/h3-5,7-8,10-11,17-18,22H,6,9,12-16H2,1-2H3,(H,28,33)(H,29,32).
What are the key properties of 1-(6-acetamido-4-methylquinolin-2-yl)-N-(3-phenylpropyl)piperidine-4-carboxamide?
1-(6-acetamido-4-methylquinolin-2-yl)-N-(3-phenylpropyl)piperidine-4-carboxamide has a molecular weight of 444.58 g/mol, XLogP of 4.47, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-acetamido-4-methylquinolin-2-yl)-N-(3-phenylpropyl)piperidine-4-carboxamide is sourced from PubChem (CID 50825503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).