N,N-dimethyl-1-(2-phenylquinoline-4-carbonyl)piperidine-4-carboxamide

C24H25N3O2 — CID 78779468

IUPACN,N-dimethyl-1-(2-phenylquinoline-4-carbonyl)piperidine-4-carboxamide
SMILESCN(C)C(=O)C1CCN(C(=O)c2cc(-c3ccccc3)nc3ccccc23)CC1
InChIInChI=1S/C24H25N3O2/c1-26(2)23(28)18-12-14-27(15-13-18)24(29)20-16-22(17-8-4-3-5-9-17)25-21-11-7-6-10-19(20)21/h3-11,16,18H,12-15H2,1-2H3
InChIKeyJTBIGXNIGREXRD-UHFFFAOYSA-N
MW387.48 g/mol
LogP3.84
Rot. Bonds3

About N,N-dimethyl-1-(2-phenylquinoline-4-carbonyl)piperidine-4-carboxamide

N,N-dimethyl-1-(2-phenylquinoline-4-carbonyl)piperidine-4-carboxamide (PubChem CID 78779468) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is N,N-dimethyl-1-(2-phenylquinoline-4-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-1-(2-phenylquinoline-4-carbonyl)piperidine-4-carboxamide
PubChem CID78779468
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC NameN,N-dimethyl-1-(2-phenylquinoline-4-carbonyl)piperidine-4-carboxamide
SMILESCN(C)C(=O)C1CCN(C(=O)c2cc(-c3ccccc3)nc3ccccc23)CC1
InChIInChI=1S/C24H25N3O2/c1-26(2)23(28)18-12-14-27(15-13-18)24(29)20-16-22(17-8-4-3-5-9-17)25-21-11-7-6-10-19(20)21/h3-11,16,18H,12-15H2,1-2H3
InChIKeyJTBIGXNIGREXRD-UHFFFAOYSA-N
XLogP3.84
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-aminoazepan-1-yl)-(2-phenylquinolin-4-yl)methanone
CID 56913931
1-[2-(4-chlorophenyl)quinoline-4-carbonyl]piperidine-4-carboxamide
CID 2094903
(2,6-dimethylmorpholin-4-yl)-(2-phenylquinolin-4-yl)methanone
CID 2873550
1-[4-[2-(4-methylphenyl)quinoline-4-carbonyl]piperazin-1-yl]ethanone
CID 2344841
1-(2-phenylquinoline-4-carbonyl)piperidine-3-carboxylic acid
CID 133108166
[3-(methylaminomethyl)pyrrolidin-1-yl]-(2-phenylquinolin-4-yl)methanone
CID 119542238
[2-(3-methylphenyl)quinolin-4-yl]-piperidin-1-ylmethanone
CID 3533983
(4-hydroxyphenyl)-[1-[2-(4-methoxyphenyl)quinoline-4-carbonyl]piperidin-4-yl]methanone
CID 24615482
N,N-dimethyl-2-[4-[2-(4-methylphenyl)quinoline-4-carbonyl]piperazin-1-yl]acetamide
CID 46653075
[2-(4-phenylphenyl)quinolin-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 175976481
(2-pyridin-3-ylquinolin-4-yl)-pyrrolidin-1-ylmethanone
CID 3412131
[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[2-(4-phenylphenyl)quinolin-4-yl]methanone
CID 52693143

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(2-phenylquinoline-4-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N,N-dimethyl-1-(2-phenylquinoline-4-carbonyl)piperidine-4-carboxamide (CID 78779468) is N,N-dimethyl-1-(2-phenylquinoline-4-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N,N-dimethyl-1-(2-phenylquinoline-4-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N,N-dimethyl-1-(2-phenylquinoline-4-carbonyl)piperidine-4-carboxamide is CN(C)C(=O)C1CCN(C(=O)c2cc(-c3ccccc3)nc3ccccc23)CC1.
What is the InChIKey of N,N-dimethyl-1-(2-phenylquinoline-4-carbonyl)piperidine-4-carboxamide?
The InChIKey is JTBIGXNIGREXRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/c1-26(2)23(28)18-12-14-27(15-13-18)24(29)20-16-22(17-8-4-3-5-9-17)25-21-11-7-6-10-19(20)21/h3-11,16,18H,12-15H2,1-2H3.
What are the key properties of N,N-dimethyl-1-(2-phenylquinoline-4-carbonyl)piperidine-4-carboxamide?
N,N-dimethyl-1-(2-phenylquinoline-4-carbonyl)piperidine-4-carboxamide has a molecular weight of 387.48 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(2-phenylquinoline-4-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 78779468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).