N-[(2S)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-6-methyl-4-oxochromene-2-carboxamide

C24H25ClN2O3 — CID 35574240

IUPACN-[(2S)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-6-methyl-4-oxochromene-2-carboxamide
SMILESCc1ccc2oc(C(=O)NC[C@H](c3ccc(Cl)cc3)N3CCCCC3)cc(=O)c2c1
InChIInChI=1S/C24H25ClN2O3/c1-16-5-10-22-19(13-16)21(28)14-23(30-22)24(29)26-15-20(27-11-3-2-4-12-27)17-6-8-18(25)9-7-17/h5-10,13-14,20H,2-4,11-12,15H2,1H3,(H,26,29)/t20-/m1/s1
InChIKeyFNMBDAOGANIHBL-HXUWFJFHSA-N
MW424.93 g/mol
LogP4.71
Rot. Bonds5

About N-[(2S)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-6-methyl-4-oxochromene-2-carboxamide

N-[(2S)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-6-methyl-4-oxochromene-2-carboxamide (PubChem CID 35574240) has the molecular formula C24H25ClN2O3 and a molecular weight of 424.93 g/mol. Its IUPAC name is N-[(2S)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-6-methyl-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-6-methyl-4-oxochromene-2-carboxamide
PubChem CID35574240
Molecular FormulaC24H25ClN2O3
Molecular Weight424.93 g/mol
Exact Mass424.16
IUPAC NameN-[(2S)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-6-methyl-4-oxochromene-2-carboxamide
SMILESCc1ccc2oc(C(=O)NC[C@H](c3ccc(Cl)cc3)N3CCCCC3)cc(=O)c2c1
InChIInChI=1S/C24H25ClN2O3/c1-16-5-10-22-19(13-16)21(28)14-23(30-22)24(29)26-15-20(27-11-3-2-4-12-27)17-6-8-18(25)9-7-17/h5-10,13-14,20H,2-4,11-12,15H2,1H3,(H,26,29)/t20-/m1/s1
InChIKeyFNMBDAOGANIHBL-HXUWFJFHSA-N
XLogP4.71
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.93
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-[(2R)-2-(4-methylphenyl)-2-piperidin-1-ylethyl]-4-oxochromene-2-carboxamide
CID 35574606
6-chloro-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-oxochromene-2-carboxamide
CID 45154906
N-[2-(4-tert-butylphenyl)-2-pyrrolidin-1-ylethyl]-6-chloro-4-oxochromene-2-carboxamide;hydrochloride
CID 52988291
6-methyl-N-[2-(5-methylfuran-2-yl)-2-piperidin-1-ylethyl]-4-oxochromene-2-carboxamide
CID 22509651
6-ethyl-N-[2-(4-ethylphenyl)-2-piperidin-1-ylethyl]-4-oxochromene-2-carboxamide
CID 50751394
6-methyl-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-4-oxochromene-2-carboxamide
CID 45132876
6-ethyl-N-[(2S)-2-(4-ethylphenyl)-2-piperidin-1-ylethyl]-4-oxochromene-2-carboxamide
CID 35671586
6-chloro-7-methyl-4-oxo-N-[(2R)-2-piperidin-1-yl-2-(4-propan-2-ylphenyl)ethyl]chromene-2-carboxamide
CID 35578846
6-chloro-7-methyl-4-oxo-N-[(2S)-2-piperidin-1-yl-2-(4-propan-2-ylphenyl)ethyl]chromene-2-carboxamide
CID 35578842
6-methyl-4-oxo-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]chromene-2-carboxamide
CID 35573765
6-chloro-N-[2-morpholin-4-yl-2-(4-propan-2-ylphenyl)ethyl]-4-oxochromene-2-carboxamide
CID 45155230
6-ethyl-4-oxo-N-(2-phenyl-2-pyrrolidin-1-ylethyl)chromene-2-carboxamide
CID 45155475

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-6-methyl-4-oxochromene-2-carboxamide?
The IUPAC name of N-[(2S)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-6-methyl-4-oxochromene-2-carboxamide (CID 35574240) is N-[(2S)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-6-methyl-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-[(2S)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-6-methyl-4-oxochromene-2-carboxamide?
The canonical SMILES for N-[(2S)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-6-methyl-4-oxochromene-2-carboxamide is Cc1ccc2oc(C(=O)NC[C@H](c3ccc(Cl)cc3)N3CCCCC3)cc(=O)c2c1.
What is the InChIKey of N-[(2S)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-6-methyl-4-oxochromene-2-carboxamide?
The InChIKey is FNMBDAOGANIHBL-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H25ClN2O3/c1-16-5-10-22-19(13-16)21(28)14-23(30-22)24(29)26-15-20(27-11-3-2-4-12-27)17-6-8-18(25)9-7-17/h5-10,13-14,20H,2-4,11-12,15H2,1H3,(H,26,29)/t20-/m1/s1.
What are the key properties of N-[(2S)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-6-methyl-4-oxochromene-2-carboxamide?
N-[(2S)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-6-methyl-4-oxochromene-2-carboxamide has a molecular weight of 424.93 g/mol, XLogP of 4.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-6-methyl-4-oxochromene-2-carboxamide is sourced from PubChem (CID 35574240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).