N-[(3S)-1-(2,4-dichlorophenyl)-2-oxopiperidin-3-yl]-1-hydroxycyclopentane-1-carboxamide

C17H20Cl2N2O3 — CID 164637890

IUPACN-[(3S)-1-(2,4-dichlorophenyl)-2-oxopiperidin-3-yl]-1-hydroxycyclopentane-1-carboxamide
SMILESO=C1[C@@H](NC(=O)C2(O)CCCC2)CCCN1c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H20Cl2N2O3/c18-11-5-6-14(12(19)10-11)21-9-3-4-13(15(21)22)20-16(23)17(24)7-1-2-8-17/h5-6,10,13,24H,1-4,7-9H2,(H,20,23)/t13-/m0/s1
InChIKeyACTKCNUUMSMSAV-ZDUSSCGKSA-N
MW371.26 g/mol
LogP2.91
Rot. Bonds3

About N-[(3S)-1-(2,4-dichlorophenyl)-2-oxopiperidin-3-yl]-1-hydroxycyclopentane-1-carboxamide

N-[(3S)-1-(2,4-dichlorophenyl)-2-oxopiperidin-3-yl]-1-hydroxycyclopentane-1-carboxamide (PubChem CID 164637890) has the molecular formula C17H20Cl2N2O3 and a molecular weight of 371.26 g/mol. Its IUPAC name is N-[(3S)-1-(2,4-dichlorophenyl)-2-oxopiperidin-3-yl]-1-hydroxycyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1-(2,4-dichlorophenyl)-2-oxopiperidin-3-yl]-1-hydroxycyclopentane-1-carboxamide
PubChem CID164637890
Molecular FormulaC17H20Cl2N2O3
Molecular Weight371.26 g/mol
Exact Mass370.09
IUPAC NameN-[(3S)-1-(2,4-dichlorophenyl)-2-oxopiperidin-3-yl]-1-hydroxycyclopentane-1-carboxamide
SMILESO=C1[C@@H](NC(=O)C2(O)CCCC2)CCCN1c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H20Cl2N2O3/c18-11-5-6-14(12(19)10-11)21-9-3-4-13(15(21)22)20-16(23)17(24)7-1-2-8-17/h5-6,10,13,24H,1-4,7-9H2,(H,20,23)/t13-/m0/s1
InChIKeyACTKCNUUMSMSAV-ZDUSSCGKSA-N
XLogP2.91
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.26
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3S)-1-(2,4-dichlorophenyl)-2-oxopiperidin-3-yl]-2-hydroxyacetamide
CID 124850811
N-[2-[[1-(2,4-dichlorophenyl)-2-oxopiperidin-3-yl]amino]-2-oxoethyl]prop-2-enamide
CID 166412320
1-amino-N-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]cyclohexane-1-carboxamide
CID 119334574
N-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-4-methoxypiperidine-4-carboxamide
CID 119802811
1-(4-chloro-2-iodophenyl)-3-(propan-2-ylamino)piperidin-2-one
CID 107639769
N-[1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]-1-hydroxycyclopentane-1-carboxamide
CID 110922757
1-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-3-ethylurea
CID 71994500
1-[[(3R)-2-oxo-1-phenylpiperidin-3-yl]carbamoyl]cyclopropane-1-carboxylic acid
CID 124590960
3-chloro-4-[3-(cyclopropylamino)-2-oxopiperidin-1-yl]benzonitrile
CID 107810414
(3R)-4-(cyclobutanecarbonyl)-1-(2,4-dichlorophenyl)-3-methylpiperazin-2-one
CID 93322023
(3S)-1-(2,4-dichlorophenyl)-2-oxo-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-3-carboxamide
CID 93330668
2-amino-N-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-2-phenylacetamide;hydrochloride
CID 119334565

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(2,4-dichlorophenyl)-2-oxopiperidin-3-yl]-1-hydroxycyclopentane-1-carboxamide?
The IUPAC name of N-[(3S)-1-(2,4-dichlorophenyl)-2-oxopiperidin-3-yl]-1-hydroxycyclopentane-1-carboxamide (CID 164637890) is N-[(3S)-1-(2,4-dichlorophenyl)-2-oxopiperidin-3-yl]-1-hydroxycyclopentane-1-carboxamide.
What is the SMILES notation for N-[(3S)-1-(2,4-dichlorophenyl)-2-oxopiperidin-3-yl]-1-hydroxycyclopentane-1-carboxamide?
The canonical SMILES for N-[(3S)-1-(2,4-dichlorophenyl)-2-oxopiperidin-3-yl]-1-hydroxycyclopentane-1-carboxamide is O=C1[C@@H](NC(=O)C2(O)CCCC2)CCCN1c1ccc(Cl)cc1Cl.
What is the InChIKey of N-[(3S)-1-(2,4-dichlorophenyl)-2-oxopiperidin-3-yl]-1-hydroxycyclopentane-1-carboxamide?
The InChIKey is ACTKCNUUMSMSAV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H20Cl2N2O3/c18-11-5-6-14(12(19)10-11)21-9-3-4-13(15(21)22)20-16(23)17(24)7-1-2-8-17/h5-6,10,13,24H,1-4,7-9H2,(H,20,23)/t13-/m0/s1.
What are the key properties of N-[(3S)-1-(2,4-dichlorophenyl)-2-oxopiperidin-3-yl]-1-hydroxycyclopentane-1-carboxamide?
N-[(3S)-1-(2,4-dichlorophenyl)-2-oxopiperidin-3-yl]-1-hydroxycyclopentane-1-carboxamide has a molecular weight of 371.26 g/mol, XLogP of 2.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(2,4-dichlorophenyl)-2-oxopiperidin-3-yl]-1-hydroxycyclopentane-1-carboxamide is sourced from PubChem (CID 164637890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).