N-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]phenyl]piperidine-3-carboxamide

C23H27N3O2 — CID 119312008

IUPACN-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]phenyl]piperidine-3-carboxamide
SMILESO=C(Nc1ccc(CC(=O)N2CCCc3ccccc32)cc1)C1CCCNC1
InChIInChI=1S/C23H27N3O2/c27-22(26-14-4-7-18-5-1-2-8-21(18)26)15-17-9-11-20(12-10-17)25-23(28)19-6-3-13-24-16-19/h1-2,5,8-12,19,24H,3-4,6-7,13-16H2,(H,25,28)
InChIKeyQBKOXIIETVKIKS-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.15
Rot. Bonds4

About N-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]phenyl]piperidine-3-carboxamide

N-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]phenyl]piperidine-3-carboxamide (PubChem CID 119312008) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is N-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]phenyl]piperidine-3-carboxamide
PubChem CID119312008
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC NameN-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]phenyl]piperidine-3-carboxamide
SMILESO=C(Nc1ccc(CC(=O)N2CCCc3ccccc32)cc1)C1CCCNC1
InChIInChI=1S/C23H27N3O2/c27-22(26-14-4-7-18-5-1-2-8-21(18)26)15-17-9-11-20(12-10-17)25-23(28)19-6-3-13-24-16-19/h1-2,5,8-12,19,24H,3-4,6-7,13-16H2,(H,25,28)
InChIKeyQBKOXIIETVKIKS-UHFFFAOYSA-N
XLogP3.15
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]phenyl]-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 46338653
1-(3,4-dihydro-2H-quinolin-1-yl)-2-piperidin-3-ylethanone
CID 62690706
1-amino-N-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]phenyl]cyclopropane-1-carboxamide
CID 119763704
(3S)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]piperidine-3-carboxamide
CID 81119070
N-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]phenyl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 139000822
N-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]phenyl]-2H-benzotriazole-5-carboxamide
CID 154860717
N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 46338642
2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1-(4-ethylphenyl)guanidine
CID 111079047
(2S)-2-amino-N-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]phenyl]-4-methylpentanamide
CID 119763740
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-methoxyphenyl)ethanone
CID 669074
N-(1-methyl-2,3-dihydroindol-5-yl)piperidine-3-carboxamide
CID 110837941
N-[4-[(carbamoylamino)methyl]phenyl]piperidine-3-carboxamide
CID 119308510

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]phenyl]piperidine-3-carboxamide?
The IUPAC name of N-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]phenyl]piperidine-3-carboxamide (CID 119312008) is N-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]phenyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]phenyl]piperidine-3-carboxamide?
The canonical SMILES for N-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]phenyl]piperidine-3-carboxamide is O=C(Nc1ccc(CC(=O)N2CCCc3ccccc32)cc1)C1CCCNC1.
What is the InChIKey of N-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]phenyl]piperidine-3-carboxamide?
The InChIKey is QBKOXIIETVKIKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c27-22(26-14-4-7-18-5-1-2-8-21(18)26)15-17-9-11-20(12-10-17)25-23(28)19-6-3-13-24-16-19/h1-2,5,8-12,19,24H,3-4,6-7,13-16H2,(H,25,28).
What are the key properties of N-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]phenyl]piperidine-3-carboxamide?
N-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]phenyl]piperidine-3-carboxamide has a molecular weight of 377.49 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 119312008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).