N-[1-(3-chlorobenzoyl)piperidin-4-yl]cyclobutanecarboxamide

C17H21ClN2O2 — CID 110821021

IUPACN-[1-(3-chlorobenzoyl)piperidin-4-yl]cyclobutanecarboxamide
SMILESO=C(NC1CCN(C(=O)c2cccc(Cl)c2)CC1)C1CCC1
InChIInChI=1S/C17H21ClN2O2/c18-14-6-2-5-13(11-14)17(22)20-9-7-15(8-10-20)19-16(21)12-3-1-4-12/h2,5-6,11-12,15H,1,3-4,7-10H2,(H,19,21)
InChIKeyKQQSXRLEJACSAF-UHFFFAOYSA-N
MW320.82 g/mol
LogP2.86
Rot. Bonds3

About N-[1-(3-chlorobenzoyl)piperidin-4-yl]cyclobutanecarboxamide

N-[1-(3-chlorobenzoyl)piperidin-4-yl]cyclobutanecarboxamide (PubChem CID 110821021) has the molecular formula C17H21ClN2O2 and a molecular weight of 320.82 g/mol. Its IUPAC name is N-[1-(3-chlorobenzoyl)piperidin-4-yl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[1-(3-chlorobenzoyl)piperidin-4-yl]cyclobutanecarboxamide
PubChem CID110821021
Molecular FormulaC17H21ClN2O2
Molecular Weight320.82 g/mol
Exact Mass320.13
IUPAC NameN-[1-(3-chlorobenzoyl)piperidin-4-yl]cyclobutanecarboxamide
SMILESO=C(NC1CCN(C(=O)c2cccc(Cl)c2)CC1)C1CCC1
InChIInChI=1S/C17H21ClN2O2/c18-14-6-2-5-13(11-14)17(22)20-9-7-15(8-10-20)19-16(21)12-3-1-4-12/h2,5-6,11-12,15H,1,3-4,7-10H2,(H,19,21)
InChIKeyKQQSXRLEJACSAF-UHFFFAOYSA-N
XLogP2.86
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.82
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3-methylbenzoyl)piperidin-4-yl]cyclopentanecarboxamide
CID 110820278
N-(1-benzoylpiperidin-4-yl)cyclopentanecarboxamide
CID 110820191
(3R)-N-(1-benzylpiperidin-4-yl)-1-(3-chlorobenzoyl)piperidine-3-carboxamide
CID 93060233
N-[1-(3-chlorobenzoyl)piperidin-4-yl]pyridine-2-carboxamide
CID 110821025
3-chloro-N-[1-(4-chlorobenzoyl)piperidin-4-yl]benzamide
CID 108550681
[3-[4-(cyclopentanecarbonylamino)piperidine-1-carbonyl]phenyl] acetate
CID 108927512
(3-chlorophenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 7026509
1-(3-chlorobenzoyl)-N-(4-chlorophenyl)piperidine-4-carboxamide
CID 113007193
N-[1-(3-chlorobenzoyl)piperidin-4-yl]-3,3-dimethylbutanamide
CID 110821022
N-[1-(3H-benzimidazole-5-carbonyl)piperidin-4-yl]cyclopentanecarboxamide
CID 110821508
3-chloro-N-[1-(cyclohexanecarbonyl)piperidin-4-yl]benzamide
CID 46463549
[1-(3-chlorobenzoyl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 113003036

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorobenzoyl)piperidin-4-yl]cyclobutanecarboxamide?
The IUPAC name of N-[1-(3-chlorobenzoyl)piperidin-4-yl]cyclobutanecarboxamide (CID 110821021) is N-[1-(3-chlorobenzoyl)piperidin-4-yl]cyclobutanecarboxamide.
What is the SMILES notation for N-[1-(3-chlorobenzoyl)piperidin-4-yl]cyclobutanecarboxamide?
The canonical SMILES for N-[1-(3-chlorobenzoyl)piperidin-4-yl]cyclobutanecarboxamide is O=C(NC1CCN(C(=O)c2cccc(Cl)c2)CC1)C1CCC1.
What is the InChIKey of N-[1-(3-chlorobenzoyl)piperidin-4-yl]cyclobutanecarboxamide?
The InChIKey is KQQSXRLEJACSAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O2/c18-14-6-2-5-13(11-14)17(22)20-9-7-15(8-10-20)19-16(21)12-3-1-4-12/h2,5-6,11-12,15H,1,3-4,7-10H2,(H,19,21).
What are the key properties of N-[1-(3-chlorobenzoyl)piperidin-4-yl]cyclobutanecarboxamide?
N-[1-(3-chlorobenzoyl)piperidin-4-yl]cyclobutanecarboxamide has a molecular weight of 320.82 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorobenzoyl)piperidin-4-yl]cyclobutanecarboxamide is sourced from PubChem (CID 110821021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).