3-chloro-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide

C19H21ClN2O — CID 952363

IUPAC3-chloro-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(CN2CCCCC2)cc1)c1cccc(Cl)c1
InChIInChI=1S/C19H21ClN2O/c20-17-6-4-5-16(13-17)19(23)21-18-9-7-15(8-10-18)14-22-11-2-1-3-12-22/h4-10,13H,1-3,11-12,14H2,(H,21,23)
InChIKeyUUPKCTRRHUYUKK-UHFFFAOYSA-N
MW328.84 g/mol
LogP4.58
Rot. Bonds4

About 3-chloro-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide

3-chloro-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide (PubChem CID 952363) has the molecular formula C19H21ClN2O and a molecular weight of 328.84 g/mol. Its IUPAC name is 3-chloro-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide
PubChem CID952363
Molecular FormulaC19H21ClN2O
Molecular Weight328.84 g/mol
Exact Mass328.13
IUPAC Name3-chloro-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide
SMILESO=C(Nc1ccc(CN2CCCCC2)cc1)c1cccc(Cl)c1
InChIInChI=1S/C19H21ClN2O/c20-17-6-4-5-16(13-17)19(23)21-18-9-7-15(8-10-18)14-22-11-2-1-3-12-22/h4-10,13H,1-3,11-12,14H2,(H,21,23)
InChIKeyUUPKCTRRHUYUKK-UHFFFAOYSA-N
XLogP4.58
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide?
The IUPAC name of 3-chloro-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide (CID 952363) is 3-chloro-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide.
What is the SMILES notation for 3-chloro-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide?
The canonical SMILES for 3-chloro-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide is O=C(Nc1ccc(CN2CCCCC2)cc1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide?
The InChIKey is UUPKCTRRHUYUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O/c20-17-6-4-5-16(13-17)19(23)21-18-9-7-15(8-10-18)14-22-11-2-1-3-12-22/h4-10,13H,1-3,11-12,14H2,(H,21,23).
What are the key properties of 3-chloro-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide?
3-chloro-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide has a molecular weight of 328.84 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[4-(piperidin-1-ylmethyl)phenyl]benzamide is sourced from PubChem (CID 952363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).