N,N-dimethyl-1-(2-propylquinolin-4-yl)piperidine-3-carboxamide

C20H27N3O — CID 133405148

IUPACN,N-dimethyl-1-(2-propylquinolin-4-yl)piperidine-3-carboxamide
SMILESCCCc1cc(N2CCCC(C(=O)N(C)C)C2)c2ccccc2n1
InChIInChI=1S/C20H27N3O/c1-4-8-16-13-19(17-10-5-6-11-18(17)21-16)23-12-7-9-15(14-23)20(24)22(2)3/h5-6,10-11,13,15H,4,7-9,12,14H2,1-3H3
InChIKeyJBBKMDBGIVLHOD-UHFFFAOYSA-N
MW325.46 g/mol
LogP3.49
Rot. Bonds4

About N,N-dimethyl-1-(2-propylquinolin-4-yl)piperidine-3-carboxamide

N,N-dimethyl-1-(2-propylquinolin-4-yl)piperidine-3-carboxamide (PubChem CID 133405148) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is N,N-dimethyl-1-(2-propylquinolin-4-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-1-(2-propylquinolin-4-yl)piperidine-3-carboxamide
PubChem CID133405148
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC NameN,N-dimethyl-1-(2-propylquinolin-4-yl)piperidine-3-carboxamide
SMILESCCCc1cc(N2CCCC(C(=O)N(C)C)C2)c2ccccc2n1
InChIInChI=1S/C20H27N3O/c1-4-8-16-13-19(17-10-5-6-11-18(17)21-16)23-12-7-9-15(14-23)20(24)22(2)3/h5-6,10-11,13,15H,4,7-9,12,14H2,1-3H3
InChIKeyJBBKMDBGIVLHOD-UHFFFAOYSA-N
XLogP3.49
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[1-(2-propylquinolin-4-yl)piperidin-3-yl]methyl]morpholine
CID 133401776
1-(2-ethylquinolin-4-yl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 133402580
4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-propylquinoline
CID 133402712
2-propyl-4-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)quinoline
CID 133401235
methyl 1-(2-methylquinolin-4-yl)piperidine-3-carboxylate
CID 115538397
cyclobutanecarboxylic acid;2-methyl-4-pyrrolidin-1-ylquinoline
CID 158504598
2-[1-[2-(hydroxymethyl)quinolin-4-yl]piperidin-3-yl]ethanol
CID 107228565
1-[4-(azepan-1-yl)quinolin-2-yl]-N-methylmethanamine
CID 63374160
1-(4,6-dimethylpyrimidin-2-yl)-N,N-dimethylpiperidine-3-carboxamide
CID 47473849
N-[[1-(2-ethylquinolin-4-yl)pyrrolidin-3-yl]methyl]-N-methylpropan-1-amine
CID 133402615
2-[1-(2-ethylquinolin-4-yl)piperidin-4-yl]-1-pyrrolidin-1-ylethanone
CID 133400414
4-(3-ethylpiperidin-1-yl)-2-phenylquinoline
CID 90687074

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(2-propylquinolin-4-yl)piperidine-3-carboxamide?
The IUPAC name of N,N-dimethyl-1-(2-propylquinolin-4-yl)piperidine-3-carboxamide (CID 133405148) is N,N-dimethyl-1-(2-propylquinolin-4-yl)piperidine-3-carboxamide.
What is the SMILES notation for N,N-dimethyl-1-(2-propylquinolin-4-yl)piperidine-3-carboxamide?
The canonical SMILES for N,N-dimethyl-1-(2-propylquinolin-4-yl)piperidine-3-carboxamide is CCCc1cc(N2CCCC(C(=O)N(C)C)C2)c2ccccc2n1.
What is the InChIKey of N,N-dimethyl-1-(2-propylquinolin-4-yl)piperidine-3-carboxamide?
The InChIKey is JBBKMDBGIVLHOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-4-8-16-13-19(17-10-5-6-11-18(17)21-16)23-12-7-9-15(14-23)20(24)22(2)3/h5-6,10-11,13,15H,4,7-9,12,14H2,1-3H3.
What are the key properties of N,N-dimethyl-1-(2-propylquinolin-4-yl)piperidine-3-carboxamide?
N,N-dimethyl-1-(2-propylquinolin-4-yl)piperidine-3-carboxamide has a molecular weight of 325.46 g/mol, XLogP of 3.49, 4 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-propylquinolin-4-yl)piperidine-3-carboxamide is sourced from PubChem (CID 133405148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).