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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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).