4-chloro-N-[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]benzamide

C19H21ClN2O2 — CID 162359655

IUPAC4-chloro-N-[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]benzamide
SMILESO=C(Nc1ccc(CN2CCC(O)CC2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H21ClN2O2/c20-16-5-3-15(4-6-16)19(24)21-17-7-1-14(2-8-17)13-22-11-9-18(23)10-12-22/h1-8,18,23H,9-13H2,(H,21,24)
InChIKeyNXKXPJYOCHSEGJ-UHFFFAOYSA-N
MW344.84 g/mol
LogP3.55
Rot. Bonds4

About 4-chloro-N-[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]benzamide

4-chloro-N-[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]benzamide (PubChem CID 162359655) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is 4-chloro-N-[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]benzamide
PubChem CID162359655
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC Name4-chloro-N-[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]benzamide
SMILESO=C(Nc1ccc(CN2CCC(O)CC2)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C19H21ClN2O2/c20-16-5-3-15(4-6-16)19(24)21-17-7-1-14(2-8-17)13-22-11-9-18(23)10-12-22/h1-8,18,23H,9-13H2,(H,21,24)
InChIKeyNXKXPJYOCHSEGJ-UHFFFAOYSA-N
XLogP3.55
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]benzamide?
The IUPAC name of 4-chloro-N-[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]benzamide (CID 162359655) is 4-chloro-N-[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]benzamide.
What is the SMILES notation for 4-chloro-N-[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]benzamide?
The canonical SMILES for 4-chloro-N-[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]benzamide is O=C(Nc1ccc(CN2CCC(O)CC2)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]benzamide?
The InChIKey is NXKXPJYOCHSEGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c20-16-5-3-15(4-6-16)19(24)21-17-7-1-14(2-8-17)13-22-11-9-18(23)10-12-22/h1-8,18,23H,9-13H2,(H,21,24).
What are the key properties of 4-chloro-N-[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]benzamide?
4-chloro-N-[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]benzamide has a molecular weight of 344.84 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]benzamide is sourced from PubChem (CID 162359655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).