(3R)-N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-1-benzylpiperidine-3-carboxamide

C24H29N3O2 — CID 95351102

IUPAC(3R)-N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-1-benzylpiperidine-3-carboxamide
SMILESCC(=O)N1CCCc2cc(NC(=O)[C@@H]3CCCN(Cc4ccccc4)C3)ccc21
InChIInChI=1S/C24H29N3O2/c1-18(28)27-14-6-9-20-15-22(11-12-23(20)27)25-24(29)21-10-5-13-26(17-21)16-19-7-3-2-4-8-19/h2-4,7-8,11-12,15,21H,5-6,9-10,13-14,16-17H2,1H3,(H,25,29)/t21-/m1/s1
InChIKeyBTOZCUBLDLZETI-OAQYLSRUSA-N
MW391.51 g/mol
LogP3.84
Rot. Bonds4

About (3R)-N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-1-benzylpiperidine-3-carboxamide

(3R)-N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-1-benzylpiperidine-3-carboxamide (PubChem CID 95351102) has the molecular formula C24H29N3O2 and a molecular weight of 391.51 g/mol. Its IUPAC name is (3R)-N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-1-benzylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-1-benzylpiperidine-3-carboxamide
PubChem CID95351102
Molecular FormulaC24H29N3O2
Molecular Weight391.51 g/mol
Exact Mass391.23
IUPAC Name(3R)-N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-1-benzylpiperidine-3-carboxamide
SMILESCC(=O)N1CCCc2cc(NC(=O)[C@@H]3CCCN(Cc4ccccc4)C3)ccc21
InChIInChI=1S/C24H29N3O2/c1-18(28)27-14-6-9-20-15-22(11-12-23(20)27)25-24(29)21-10-5-13-26(17-21)16-19-7-3-2-4-8-19/h2-4,7-8,11-12,15,21H,5-6,9-10,13-14,16-17H2,1H3,(H,25,29)/t21-/m1/s1
InChIKeyBTOZCUBLDLZETI-OAQYLSRUSA-N
XLogP3.84
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.51
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-benzyl-N-(3,4-dimethylphenyl)piperidine-3-carboxamide
CID 93490442
1-benzyl-N-(3,4-dichlorophenyl)piperidine-3-carboxamide
CID 43925060
1-benzyl-N-[3-(phenylcarbamoylamino)phenyl]piperidine-3-carboxamide
CID 47074842
(3S)-1-benzyl-N-(3-chlorophenyl)piperidine-3-carboxamide
CID 93490524
(3R)-1-benzyl-N-(3-chlorophenyl)piperidine-3-carboxamide
CID 93490525
N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-9-aminobicyclo[3.3.1]nonane-3-carboxamide
CID 120988225
1-benzyl-N-(4-phenoxyphenyl)piperidine-3-carboxamide
CID 43919796
(3S)-1-benzyl-N-(4-phenoxyphenyl)piperidine-3-carboxamide
CID 93490714
1-benzyl-N-[3-(ethylaminomethyl)phenyl]piperidine-3-carboxamide;dihydrochloride
CID 119438547
N-(1-acetyl-2,3-dihydroindol-5-yl)-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 75861710
1-benzyl-N-(4-propan-2-yloxyphenyl)piperidine-3-carboxamide
CID 43925293
1-benzyl-N-methylpiperidine-3-carboxamide
CID 43918327

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-1-benzylpiperidine-3-carboxamide?
The IUPAC name of (3R)-N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-1-benzylpiperidine-3-carboxamide (CID 95351102) is (3R)-N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-1-benzylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-1-benzylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-1-benzylpiperidine-3-carboxamide is CC(=O)N1CCCc2cc(NC(=O)[C@@H]3CCCN(Cc4ccccc4)C3)ccc21.
What is the InChIKey of (3R)-N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-1-benzylpiperidine-3-carboxamide?
The InChIKey is BTOZCUBLDLZETI-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-18(28)27-14-6-9-20-15-22(11-12-23(20)27)25-24(29)21-10-5-13-26(17-21)16-19-7-3-2-4-8-19/h2-4,7-8,11-12,15,21H,5-6,9-10,13-14,16-17H2,1H3,(H,25,29)/t21-/m1/s1.
What are the key properties of (3R)-N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-1-benzylpiperidine-3-carboxamide?
(3R)-N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-1-benzylpiperidine-3-carboxamide has a molecular weight of 391.51 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-1-benzylpiperidine-3-carboxamide is sourced from PubChem (CID 95351102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).