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

C15H19ClN2O3 — CID 60958295

IUPAC2-chloro-N-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]benzamide
SMILESO=C(NCC(=O)N1CCC(CO)CC1)c1ccccc1Cl
InChIInChI=1S/C15H19ClN2O3/c16-13-4-2-1-3-12(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)
InChIKeyCXFKZGSQRMFDIE-UHFFFAOYSA-N
MW310.78 g/mol
LogP1.30
Rot. Bonds4

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

2-chloro-N-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]benzamide (PubChem CID 60958295) has the molecular formula C15H19ClN2O3 and a molecular weight of 310.78 g/mol. Its IUPAC name is 2-chloro-N-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]benzamide
PubChem CID60958295
Molecular FormulaC15H19ClN2O3
Molecular Weight310.78 g/mol
Exact Mass310.11
IUPAC Name2-chloro-N-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]benzamide
SMILESO=C(NCC(=O)N1CCC(CO)CC1)c1ccccc1Cl
InChIInChI=1S/C15H19ClN2O3/c16-13-4-2-1-3-12(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)
InChIKeyCXFKZGSQRMFDIE-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

2-chloro-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 28708781
4-chloro-N-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]benzamide
CID 60958174
2-chloro-N-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethyl]benzamide
CID 61411188
2-chloro-N-[2-oxo-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]ethyl]benzamide
CID 30543359
ethyl 4-[2-[(2-chlorobenzoyl)amino]acetyl]piperazine-1-carboxylate
CID 2622961
N-butyl-1-[2-[(2-chlorobenzoyl)amino]acetyl]-N-methylpiperidine-4-carboxamide
CID 55860372
2-chloro-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide
CID 8891065
1-[2-[(2-chlorobenzoyl)amino]acetyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55932117
2-chloro-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzamide
CID 7974806
2-chloro-6-fluoro-N-[2-[4-[(2-fluorobenzoyl)amino]piperidin-1-yl]-2-oxoethyl]benzamide
CID 86898999
N-[(2-chlorophenyl)methyl]-4-(hydroxymethyl)piperidine-1-carboxamide
CID 110894603
N-[2-[4-(acetamidomethyl)piperidin-1-yl]-2-oxoethyl]-2-iodobenzamide
CID 55844259

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]benzamide?
The IUPAC name of 2-chloro-N-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]benzamide (CID 60958295) is 2-chloro-N-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]benzamide?
The canonical SMILES for 2-chloro-N-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]benzamide is O=C(NCC(=O)N1CCC(CO)CC1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]benzamide?
The InChIKey is CXFKZGSQRMFDIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O3/c16-13-4-2-1-3-12(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 2-chloro-N-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]benzamide?
2-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 2-chloro-N-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]benzamide is sourced from PubChem (CID 60958295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).