2-chloro-N-[3-oxo-3-(piperidin-1-ylamino)propyl]benzamide

C15H20ClN3O2 — CID 9271208

IUPAC2-chloro-N-[3-oxo-3-(piperidin-1-ylamino)propyl]benzamide
SMILESO=C(CCNC(=O)c1ccccc1Cl)NN1CCCCC1
InChIInChI=1S/C15H20ClN3O2/c16-13-7-3-2-6-12(13)15(21)17-9-8-14(20)18-19-10-4-1-5-11-19/h2-3,6-7H,1,4-5,8-11H2,(H,17,21)(H,18,20)
InChIKeyGITZILBYHFTZAI-UHFFFAOYSA-N
MW309.80 g/mol
LogP1.98
Rot. Bonds5

About 2-chloro-N-[3-oxo-3-(piperidin-1-ylamino)propyl]benzamide

2-chloro-N-[3-oxo-3-(piperidin-1-ylamino)propyl]benzamide (PubChem CID 9271208) has the molecular formula C15H20ClN3O2 and a molecular weight of 309.80 g/mol. Its IUPAC name is 2-chloro-N-[3-oxo-3-(piperidin-1-ylamino)propyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-oxo-3-(piperidin-1-ylamino)propyl]benzamide
PubChem CID9271208
Molecular FormulaC15H20ClN3O2
Molecular Weight309.80 g/mol
Exact Mass309.12
IUPAC Name2-chloro-N-[3-oxo-3-(piperidin-1-ylamino)propyl]benzamide
SMILESO=C(CCNC(=O)c1ccccc1Cl)NN1CCCCC1
InChIInChI=1S/C15H20ClN3O2/c16-13-7-3-2-6-12(13)15(21)17-9-8-14(20)18-19-10-4-1-5-11-19/h2-3,6-7H,1,4-5,8-11H2,(H,17,21)(H,18,20)
InChIKeyGITZILBYHFTZAI-UHFFFAOYSA-N
XLogP1.98
TPSA61.44 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 ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[2-oxo-2-(piperidin-1-ylamino)ethyl]benzamide
CID 9271437
2-chloro-N-[3-oxo-3-[3-(2-oxopyrrolidin-1-yl)propylamino]propyl]benzamide
CID 30483231
2-chloro-N-(2-pyrrolidin-1-ylethyl)benzamide;hydrochloride
CID 2941366
2-chloro-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 28709231
2-chloro-N-[2-[(2-chloroacetyl)amino]ethyl]benzamide
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2-chloro-N-[3-oxo-3-(pentan-3-ylamino)propyl]benzamide
CID 7962772
2-chloro-N-[3-(4-morpholin-4-ylanilino)-3-oxopropyl]benzamide
CID 7409258
2-chloro-N-[3-[(2-methylcyclohexyl)amino]-3-oxopropyl]benzamide
CID 47004575
2-chloro-N-[3-[[(1S,2S)-2-methylcyclohexyl]amino]-3-oxopropyl]benzamide
CID 7976266
2-chloro-N-[3-[[(1R,2R)-2-methylcyclohexyl]amino]-3-oxopropyl]benzamide
CID 7976258
2-chloro-N-[3-(4-morpholin-4-ylsulfonylanilino)-3-oxopropyl]benzamide
CID 4856622
2-chloro-N-[3-[(2-methylphenyl)methylamino]-3-oxopropyl]benzamide
CID 9104877

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-oxo-3-(piperidin-1-ylamino)propyl]benzamide?
The IUPAC name of 2-chloro-N-[3-oxo-3-(piperidin-1-ylamino)propyl]benzamide (CID 9271208) is 2-chloro-N-[3-oxo-3-(piperidin-1-ylamino)propyl]benzamide.
What is the SMILES notation for 2-chloro-N-[3-oxo-3-(piperidin-1-ylamino)propyl]benzamide?
The canonical SMILES for 2-chloro-N-[3-oxo-3-(piperidin-1-ylamino)propyl]benzamide is O=C(CCNC(=O)c1ccccc1Cl)NN1CCCCC1.
What is the InChIKey of 2-chloro-N-[3-oxo-3-(piperidin-1-ylamino)propyl]benzamide?
The InChIKey is GITZILBYHFTZAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O2/c16-13-7-3-2-6-12(13)15(21)17-9-8-14(20)18-19-10-4-1-5-11-19/h2-3,6-7H,1,4-5,8-11H2,(H,17,21)(H,18,20).
What are the key properties of 2-chloro-N-[3-oxo-3-(piperidin-1-ylamino)propyl]benzamide?
2-chloro-N-[3-oxo-3-(piperidin-1-ylamino)propyl]benzamide has a molecular weight of 309.80 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-oxo-3-(piperidin-1-ylamino)propyl]benzamide is sourced from PubChem (CID 9271208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).