N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]quinoline-2-carboxamide

C24H27N3O2 — CID 41411203

IUPACN-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]quinoline-2-carboxamide
SMILESCOc1ccc([C@@H](CNC(=O)c2ccc3ccccc3n2)N2CCCCC2)cc1
InChIInChI=1S/C24H27N3O2/c1-29-20-12-9-19(10-13-20)23(27-15-5-2-6-16-27)17-25-24(28)22-14-11-18-7-3-4-8-21(18)26-22/h3-4,7-14,23H,2,5-6,15-17H2,1H3,(H,25,28)/t23-/m1/s1
InChIKeyYZDGGQCMRLXBNF-HSZRJFAPSA-N
MW389.50 g/mol
LogP4.20
Rot. Bonds6

About N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]quinoline-2-carboxamide

N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]quinoline-2-carboxamide (PubChem CID 41411203) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]quinoline-2-carboxamide
PubChem CID41411203
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC NameN-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]quinoline-2-carboxamide
SMILESCOc1ccc([C@@H](CNC(=O)c2ccc3ccccc3n2)N2CCCCC2)cc1
InChIInChI=1S/C24H27N3O2/c1-29-20-12-9-19(10-13-20)23(27-15-5-2-6-16-27)17-25-24(28)22-14-11-18-7-3-4-8-21(18)26-22/h3-4,7-14,23H,2,5-6,15-17H2,1H3,(H,25,28)/t23-/m1/s1
InChIKeyYZDGGQCMRLXBNF-HSZRJFAPSA-N
XLogP4.20
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]pyridine-2-carboxamide
CID 46522817
N-[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 17016119
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]naphthalene-1-carboxamide;hydrochloride
CID 52985345
1-benzyl-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-6-oxopyridazine-3-carboxamide
CID 112789918
N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-methyl-1-benzofuran-2-carboxamide
CID 26206969
N-[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]thiophene-2-carboxamide
CID 17011758
2-(2-hydroxyphenyl)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide
CID 60615784
N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2-oxochromene-3-carboxamide
CID 40849817
N-[(2R)-2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-4-methoxybenzamide
CID 34954942
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-phenylacetamide;hydrochloride
CID 52984976
methyl 4-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]carbamoyl]benzoate
CID 51161556
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide
CID 112781138

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]quinoline-2-carboxamide?
The IUPAC name of N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]quinoline-2-carboxamide (CID 41411203) is N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]quinoline-2-carboxamide.
What is the SMILES notation for N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]quinoline-2-carboxamide?
The canonical SMILES for N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]quinoline-2-carboxamide is COc1ccc([C@@H](CNC(=O)c2ccc3ccccc3n2)N2CCCCC2)cc1.
What is the InChIKey of N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]quinoline-2-carboxamide?
The InChIKey is YZDGGQCMRLXBNF-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-29-20-12-9-19(10-13-20)23(27-15-5-2-6-16-27)17-25-24(28)22-14-11-18-7-3-4-8-21(18)26-22/h3-4,7-14,23H,2,5-6,15-17H2,1H3,(H,25,28)/t23-/m1/s1.
What are the key properties of N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]quinoline-2-carboxamide?
N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]quinoline-2-carboxamide has a molecular weight of 389.50 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]quinoline-2-carboxamide is sourced from PubChem (CID 41411203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).