2-chloro-6-(4-pyrrolidin-2-ylpiperidin-1-yl)benzamide

C16H22ClN3O — CID 63257325

IUPAC2-chloro-6-(4-pyrrolidin-2-ylpiperidin-1-yl)benzamide
SMILESNC(=O)c1c(Cl)cccc1N1CCC(C2CCCN2)CC1
InChIInChI=1S/C16H22ClN3O/c17-12-3-1-5-14(15(12)16(18)21)20-9-6-11(7-10-20)13-4-2-8-19-13/h1,3,5,11,13,19H,2,4,6-10H2,(H2,18,21)
InChIKeyLXQWHBOQFVSQMC-UHFFFAOYSA-N
MW307.82 g/mol
LogP2.41
Rot. Bonds3

About 2-chloro-6-(4-pyrrolidin-2-ylpiperidin-1-yl)benzamide

2-chloro-6-(4-pyrrolidin-2-ylpiperidin-1-yl)benzamide (PubChem CID 63257325) has the molecular formula C16H22ClN3O and a molecular weight of 307.82 g/mol. Its IUPAC name is 2-chloro-6-(4-pyrrolidin-2-ylpiperidin-1-yl)benzamide.

Molecular Properties

Compound Name2-chloro-6-(4-pyrrolidin-2-ylpiperidin-1-yl)benzamide
PubChem CID63257325
Molecular FormulaC16H22ClN3O
Molecular Weight307.82 g/mol
Exact Mass307.15
IUPAC Name2-chloro-6-(4-pyrrolidin-2-ylpiperidin-1-yl)benzamide
SMILESNC(=O)c1c(Cl)cccc1N1CCC(C2CCCN2)CC1
InChIInChI=1S/C16H22ClN3O/c17-12-3-1-5-14(15(12)16(18)21)20-9-6-11(7-10-20)13-4-2-8-19-13/h1,3,5,11,13,19H,2,4,6-10H2,(H2,18,21)
InChIKeyLXQWHBOQFVSQMC-UHFFFAOYSA-N
XLogP2.41
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.82
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(4-pyrrolidin-2-ylpiperidin-1-yl)benzamide?
The IUPAC name of 2-chloro-6-(4-pyrrolidin-2-ylpiperidin-1-yl)benzamide (CID 63257325) is 2-chloro-6-(4-pyrrolidin-2-ylpiperidin-1-yl)benzamide.
What is the SMILES notation for 2-chloro-6-(4-pyrrolidin-2-ylpiperidin-1-yl)benzamide?
The canonical SMILES for 2-chloro-6-(4-pyrrolidin-2-ylpiperidin-1-yl)benzamide is NC(=O)c1c(Cl)cccc1N1CCC(C2CCCN2)CC1.
What is the InChIKey of 2-chloro-6-(4-pyrrolidin-2-ylpiperidin-1-yl)benzamide?
The InChIKey is LXQWHBOQFVSQMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O/c17-12-3-1-5-14(15(12)16(18)21)20-9-6-11(7-10-20)13-4-2-8-19-13/h1,3,5,11,13,19H,2,4,6-10H2,(H2,18,21).
What are the key properties of 2-chloro-6-(4-pyrrolidin-2-ylpiperidin-1-yl)benzamide?
2-chloro-6-(4-pyrrolidin-2-ylpiperidin-1-yl)benzamide has a molecular weight of 307.82 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(4-pyrrolidin-2-ylpiperidin-1-yl)benzamide is sourced from PubChem (CID 63257325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).