1-amino-N-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]cyclohexane-1-carboxamide

C18H24ClN3O2 — CID 119334574

IUPAC1-amino-N-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]cyclohexane-1-carboxamide
SMILESNC1(C(=O)NC2CCCN(c3ccccc3Cl)C2=O)CCCCC1
InChIInChI=1S/C18H24ClN3O2/c19-13-7-2-3-9-15(13)22-12-6-8-14(16(22)23)21-17(24)18(20)10-4-1-5-11-18/h2-3,7,9,14H,1,4-6,8,10-12,20H2,(H,21,24)
InChIKeyWJSDJGQGVPDIKP-UHFFFAOYSA-N
MW349.86 g/mol
LogP2.61
Rot. Bonds3

About 1-amino-N-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]cyclohexane-1-carboxamide

1-amino-N-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]cyclohexane-1-carboxamide (PubChem CID 119334574) has the molecular formula C18H24ClN3O2 and a molecular weight of 349.86 g/mol. Its IUPAC name is 1-amino-N-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]cyclohexane-1-carboxamide
PubChem CID119334574
Molecular FormulaC18H24ClN3O2
Molecular Weight349.86 g/mol
Exact Mass349.16
IUPAC Name1-amino-N-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]cyclohexane-1-carboxamide
SMILESNC1(C(=O)NC2CCCN(c3ccccc3Cl)C2=O)CCCCC1
InChIInChI=1S/C18H24ClN3O2/c19-13-7-2-3-9-15(13)22-12-6-8-14(16(22)23)21-17(24)18(20)10-4-1-5-11-18/h2-3,7,9,14H,1,4-6,8,10-12,20H2,(H,21,24)
InChIKeyWJSDJGQGVPDIKP-UHFFFAOYSA-N
XLogP2.61
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.86
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-[1-(2-chlorophenyl)piperidin-3-yl]cyclopentane-1-carboxamide
CID 119882542
N-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-4-methoxypiperidine-4-carboxamide
CID 119802811
1-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-3-ethylurea
CID 71994500
2-amino-N-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-2-phenylacetamide;hydrochloride
CID 119334565
N-[(3S)-1-(2,4-dichlorophenyl)-2-oxopiperidin-3-yl]-1-hydroxycyclopentane-1-carboxamide
CID 164637890
2-amino-N-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120794855
N-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-2-methylsulfonylpropanamide
CID 136527689
1-amino-N-[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]cyclopropane-1-carboxamide;hydrochloride
CID 119813995
(2R,4R)-N-[(3R)-1-(2-chlorophenyl)-2-oxopiperidin-3-yl]-4-hydroxypyrrolidine-2-carboxamide
CID 124701714
1-[[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]carbamoyl]piperidine-3-carboxylic acid
CID 122001630
1-(2-chlorophenyl)-3-hydroxypiperidin-2-one
CID 117014113
N-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]morpholine-2-carboxamide;hydrochloride
CID 119802816

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]cyclohexane-1-carboxamide (CID 119334574) is 1-amino-N-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]cyclohexane-1-carboxamide is NC1(C(=O)NC2CCCN(c3ccccc3Cl)C2=O)CCCCC1.
What is the InChIKey of 1-amino-N-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]cyclohexane-1-carboxamide?
The InChIKey is WJSDJGQGVPDIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3O2/c19-13-7-2-3-9-15(13)22-12-6-8-14(16(22)23)21-17(24)18(20)10-4-1-5-11-18/h2-3,7,9,14H,1,4-6,8,10-12,20H2,(H,21,24).
What are the key properties of 1-amino-N-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]cyclohexane-1-carboxamide?
1-amino-N-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]cyclohexane-1-carboxamide has a molecular weight of 349.86 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[1-(2-chlorophenyl)-2-oxopiperidin-3-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 119334574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).