5-chloro-2-(2-pyrrolidin-2-ylpiperidin-1-yl)benzamide

C16H22ClN3O — CID 63254418

IUPAC5-chloro-2-(2-pyrrolidin-2-ylpiperidin-1-yl)benzamide
SMILESNC(=O)c1cc(Cl)ccc1N1CCCCC1C1CCCN1
InChIInChI=1S/C16H22ClN3O/c17-11-6-7-14(12(10-11)16(18)21)20-9-2-1-5-15(20)13-4-3-8-19-13/h6-7,10,13,15,19H,1-5,8-9H2,(H2,18,21)
InChIKeyACOZCSMWDKQZQI-UHFFFAOYSA-N
MW307.82 g/mol
LogP2.55
Rot. Bonds3

About 5-chloro-2-(2-pyrrolidin-2-ylpiperidin-1-yl)benzamide

5-chloro-2-(2-pyrrolidin-2-ylpiperidin-1-yl)benzamide (PubChem CID 63254418) has the molecular formula C16H22ClN3O and a molecular weight of 307.82 g/mol. Its IUPAC name is 5-chloro-2-(2-pyrrolidin-2-ylpiperidin-1-yl)benzamide.

Molecular Properties

Compound Name5-chloro-2-(2-pyrrolidin-2-ylpiperidin-1-yl)benzamide
PubChem CID63254418
Molecular FormulaC16H22ClN3O
Molecular Weight307.82 g/mol
Exact Mass307.15
IUPAC Name5-chloro-2-(2-pyrrolidin-2-ylpiperidin-1-yl)benzamide
SMILESNC(=O)c1cc(Cl)ccc1N1CCCCC1C1CCCN1
InChIInChI=1S/C16H22ClN3O/c17-11-6-7-14(12(10-11)16(18)21)20-9-2-1-5-15(20)13-4-3-8-19-13/h6-7,10,13,15,19H,1-5,8-9H2,(H2,18,21)
InChIKeyACOZCSMWDKQZQI-UHFFFAOYSA-N
XLogP2.55
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 ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2-pyrrolidin-2-ylpiperidin-1-yl)benzamide?
The IUPAC name of 5-chloro-2-(2-pyrrolidin-2-ylpiperidin-1-yl)benzamide (CID 63254418) is 5-chloro-2-(2-pyrrolidin-2-ylpiperidin-1-yl)benzamide.
What is the SMILES notation for 5-chloro-2-(2-pyrrolidin-2-ylpiperidin-1-yl)benzamide?
The canonical SMILES for 5-chloro-2-(2-pyrrolidin-2-ylpiperidin-1-yl)benzamide is NC(=O)c1cc(Cl)ccc1N1CCCCC1C1CCCN1.
What is the InChIKey of 5-chloro-2-(2-pyrrolidin-2-ylpiperidin-1-yl)benzamide?
The InChIKey is ACOZCSMWDKQZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O/c17-11-6-7-14(12(10-11)16(18)21)20-9-2-1-5-15(20)13-4-3-8-19-13/h6-7,10,13,15,19H,1-5,8-9H2,(H2,18,21).
What are the key properties of 5-chloro-2-(2-pyrrolidin-2-ylpiperidin-1-yl)benzamide?
5-chloro-2-(2-pyrrolidin-2-ylpiperidin-1-yl)benzamide has a molecular weight of 307.82 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2-pyrrolidin-2-ylpiperidin-1-yl)benzamide is sourced from PubChem (CID 63254418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).