3-chloro-4-[[(2-oxo-2-piperidin-1-ylethyl)amino]methyl]benzamide

C15H20ClN3O2 — CID 102665002

IUPAC3-chloro-4-[[(2-oxo-2-piperidin-1-ylethyl)amino]methyl]benzamide
SMILESNC(=O)c1ccc(CNCC(=O)N2CCCCC2)c(Cl)c1
InChIInChI=1S/C15H20ClN3O2/c16-13-8-11(15(17)21)4-5-12(13)9-18-10-14(20)19-6-2-1-3-7-19/h4-5,8,18H,1-3,6-7,9-10H2,(H2,17,21)
InChIKeyZBELKXYUZWHDLH-UHFFFAOYSA-N
MW309.80 g/mol
LogP1.54
Rot. Bonds5

About 3-chloro-4-[[(2-oxo-2-piperidin-1-ylethyl)amino]methyl]benzamide

3-chloro-4-[[(2-oxo-2-piperidin-1-ylethyl)amino]methyl]benzamide (PubChem CID 102665002) has the molecular formula C15H20ClN3O2 and a molecular weight of 309.80 g/mol. Its IUPAC name is 3-chloro-4-[[(2-oxo-2-piperidin-1-ylethyl)amino]methyl]benzamide.

Molecular Properties

Compound Name3-chloro-4-[[(2-oxo-2-piperidin-1-ylethyl)amino]methyl]benzamide
PubChem CID102665002
Molecular FormulaC15H20ClN3O2
Molecular Weight309.80 g/mol
Exact Mass309.12
IUPAC Name3-chloro-4-[[(2-oxo-2-piperidin-1-ylethyl)amino]methyl]benzamide
SMILESNC(=O)c1ccc(CNCC(=O)N2CCCCC2)c(Cl)c1
InChIInChI=1S/C15H20ClN3O2/c16-13-8-11(15(17)21)4-5-12(13)9-18-10-14(20)19-6-2-1-3-7-19/h4-5,8,18H,1-3,6-7,9-10H2,(H2,17,21)
InChIKeyZBELKXYUZWHDLH-UHFFFAOYSA-N
XLogP1.54
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-4-[[(2-oxo-2-pyrrolidin-1-ylethyl)amino]methyl]benzamide
CID 114480710
4-[(2-bromoprop-2-enylamino)methyl]-3-chlorobenzamide
CID 102665063
4-[(but-3-ynylamino)methyl]-3-chlorobenzamide
CID 102664571
3-chloro-4-[[(2-methoxy-2-methylpropyl)amino]methyl]benzamide
CID 102665048
3-chloro-4-[(2-morpholin-4-ylethylamino)methyl]benzamide
CID 102663922
3-chloro-4-[(3-hydroxybutylamino)methyl]benzamide
CID 102664624
4-fluoro-3-[[(2-oxo-2-pyrrolidin-1-ylethyl)amino]methyl]benzoic acid
CID 107453251
3-chloro-4-[(pentylamino)methyl]benzamide
CID 102663787
3-chloro-4-[[(4-hydroxycyclohexyl)methylamino]methyl]benzamide
CID 106133041
3-chloro-4-[(2-phenylpropylamino)methyl]benzamide
CID 102665041
2-[(2-chloro-6-hydroxyphenyl)methylamino]-1-pyrrolidin-1-ylethanone
CID 112690862
3-chloro-4-[[(2-hydroxycyclohexyl)amino]methyl]benzamide
CID 102664438

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[[(2-oxo-2-piperidin-1-ylethyl)amino]methyl]benzamide?
The IUPAC name of 3-chloro-4-[[(2-oxo-2-piperidin-1-ylethyl)amino]methyl]benzamide (CID 102665002) is 3-chloro-4-[[(2-oxo-2-piperidin-1-ylethyl)amino]methyl]benzamide.
What is the SMILES notation for 3-chloro-4-[[(2-oxo-2-piperidin-1-ylethyl)amino]methyl]benzamide?
The canonical SMILES for 3-chloro-4-[[(2-oxo-2-piperidin-1-ylethyl)amino]methyl]benzamide is NC(=O)c1ccc(CNCC(=O)N2CCCCC2)c(Cl)c1.
What is the InChIKey of 3-chloro-4-[[(2-oxo-2-piperidin-1-ylethyl)amino]methyl]benzamide?
The InChIKey is ZBELKXYUZWHDLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O2/c16-13-8-11(15(17)21)4-5-12(13)9-18-10-14(20)19-6-2-1-3-7-19/h4-5,8,18H,1-3,6-7,9-10H2,(H2,17,21).
What are the key properties of 3-chloro-4-[[(2-oxo-2-piperidin-1-ylethyl)amino]methyl]benzamide?
3-chloro-4-[[(2-oxo-2-piperidin-1-ylethyl)amino]methyl]benzamide has a molecular weight of 309.80 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[[(2-oxo-2-piperidin-1-ylethyl)amino]methyl]benzamide is sourced from PubChem (CID 102665002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).