4-chloro-N-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]benzamide

C15H19ClN2O3 — CID 60958174

IUPAC4-chloro-N-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]benzamide
SMILESO=C(NCC(=O)N1CCC(CO)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C15H19ClN2O3/c16-13-3-1-12(2-4-13)15(21)17-9-14(20)18-7-5-11(10-19)6-8-18/h1-4,11,19H,5-10H2,(H,17,21)
InChIKeyVFZCYPNIVSLQTQ-UHFFFAOYSA-N
MW310.78 g/mol
LogP1.30
Rot. Bonds4

About 4-chloro-N-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]benzamide

4-chloro-N-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]benzamide (PubChem CID 60958174) has the molecular formula C15H19ClN2O3 and a molecular weight of 310.78 g/mol. Its IUPAC name is 4-chloro-N-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]benzamide
PubChem CID60958174
Molecular FormulaC15H19ClN2O3
Molecular Weight310.78 g/mol
Exact Mass310.11
IUPAC Name4-chloro-N-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]benzamide
SMILESO=C(NCC(=O)N1CCC(CO)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C15H19ClN2O3/c16-13-3-1-12(2-4-13)15(21)17-9-14(20)18-7-5-11(10-19)6-8-18/h1-4,11,19H,5-10H2,(H,17,21)
InChIKeyVFZCYPNIVSLQTQ-UHFFFAOYSA-N
XLogP1.30
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]benzamide
CID 43391762
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-4-chlorobenzamide
CID 112991929
2-chloro-N-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]benzamide
CID 60958295
N-[2-(4-benzoylpiperidin-1-yl)-2-oxoethyl]-4-chlorobenzamide
CID 41308736
1-[2-[(4-chlorobenzoyl)amino]acetyl]-N-phenylpiperidine-4-carboxamide
CID 26462507
N-[2-(4-aminopiperidin-1-yl)-2-oxoethyl]-3,4-dichlorobenzamide
CID 119373866
4-chloro-N-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]benzamide
CID 4779688
N-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]-4-methylbenzamide
CID 43391737
3,4-difluoro-N-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]benzamide
CID 110901522
4-chloro-N-[2-oxo-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]benzamide
CID 17436936
N-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-4-methylbenzamide
CID 43403363
3,4-difluoro-N-[2-[3-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]benzamide
CID 110907234

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]benzamide?
The IUPAC name of 4-chloro-N-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]benzamide (CID 60958174) is 4-chloro-N-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]benzamide?
The canonical SMILES for 4-chloro-N-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]benzamide is O=C(NCC(=O)N1CCC(CO)CC1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]benzamide?
The InChIKey is VFZCYPNIVSLQTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O3/c16-13-3-1-12(2-4-13)15(21)17-9-14(20)18-7-5-11(10-19)6-8-18/h1-4,11,19H,5-10H2,(H,17,21).
What are the key properties of 4-chloro-N-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]benzamide?
4-chloro-N-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]benzamide has a molecular weight of 310.78 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]benzamide is sourced from PubChem (CID 60958174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).