1-(3-chlorophenyl)-N-(2-oxopiperidin-3-yl)cyclobutane-1-carboxamide

C16H19ClN2O2 — CID 49389542

IUPAC1-(3-chlorophenyl)-N-(2-oxopiperidin-3-yl)cyclobutane-1-carboxamide
SMILESO=C1NCCCC1NC(=O)C1(c2cccc(Cl)c2)CCC1
InChIInChI=1S/C16H19ClN2O2/c17-12-5-1-4-11(10-12)16(7-3-8-16)15(21)19-13-6-2-9-18-14(13)20/h1,4-5,10,13H,2-3,6-9H2,(H,18,20)(H,19,21)
InChIKeyXPSVKHNBNKNTTO-UHFFFAOYSA-N
MW306.79 g/mol
LogP2.16
Rot. Bonds3

About 1-(3-chlorophenyl)-N-(2-oxopiperidin-3-yl)cyclobutane-1-carboxamide

1-(3-chlorophenyl)-N-(2-oxopiperidin-3-yl)cyclobutane-1-carboxamide (PubChem CID 49389542) has the molecular formula C16H19ClN2O2 and a molecular weight of 306.79 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-(2-oxopiperidin-3-yl)cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-(2-oxopiperidin-3-yl)cyclobutane-1-carboxamide
PubChem CID49389542
Molecular FormulaC16H19ClN2O2
Molecular Weight306.79 g/mol
Exact Mass306.11
IUPAC Name1-(3-chlorophenyl)-N-(2-oxopiperidin-3-yl)cyclobutane-1-carboxamide
SMILESO=C1NCCCC1NC(=O)C1(c2cccc(Cl)c2)CCC1
InChIInChI=1S/C16H19ClN2O2/c17-12-5-1-4-11(10-12)16(7-3-8-16)15(21)19-13-6-2-9-18-14(13)20/h1,4-5,10,13H,2-3,6-9H2,(H,18,20)(H,19,21)
InChIKeyXPSVKHNBNKNTTO-UHFFFAOYSA-N
XLogP2.16
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.79
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-(2-oxopiperidin-3-yl)cyclobutane-1-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-N-(2-oxopiperidin-3-yl)cyclobutane-1-carboxamide (CID 49389542) is 1-(3-chlorophenyl)-N-(2-oxopiperidin-3-yl)cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-(2-oxopiperidin-3-yl)cyclobutane-1-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-(2-oxopiperidin-3-yl)cyclobutane-1-carboxamide is O=C1NCCCC1NC(=O)C1(c2cccc(Cl)c2)CCC1.
What is the InChIKey of 1-(3-chlorophenyl)-N-(2-oxopiperidin-3-yl)cyclobutane-1-carboxamide?
The InChIKey is XPSVKHNBNKNTTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O2/c17-12-5-1-4-11(10-12)16(7-3-8-16)15(21)19-13-6-2-9-18-14(13)20/h1,4-5,10,13H,2-3,6-9H2,(H,18,20)(H,19,21).
What are the key properties of 1-(3-chlorophenyl)-N-(2-oxopiperidin-3-yl)cyclobutane-1-carboxamide?
1-(3-chlorophenyl)-N-(2-oxopiperidin-3-yl)cyclobutane-1-carboxamide has a molecular weight of 306.79 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-(2-oxopiperidin-3-yl)cyclobutane-1-carboxamide is sourced from PubChem (CID 49389542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).