2-chloro-5-(3-methylbutanoylamino)-N-piperidin-4-ylbenzamide

C17H24ClN3O2 — CID 119386824

IUPAC2-chloro-5-(3-methylbutanoylamino)-N-piperidin-4-ylbenzamide
SMILESCC(C)CC(=O)Nc1ccc(Cl)c(C(=O)NC2CCNCC2)c1
InChIInChI=1S/C17H24ClN3O2/c1-11(2)9-16(22)20-13-3-4-15(18)14(10-13)17(23)21-12-5-7-19-8-6-12/h3-4,10-12,19H,5-9H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyHHBPTLLJKCEAIV-UHFFFAOYSA-N
MW337.85 g/mol
LogP2.81
Rot. Bonds5

About 2-chloro-5-(3-methylbutanoylamino)-N-piperidin-4-ylbenzamide

2-chloro-5-(3-methylbutanoylamino)-N-piperidin-4-ylbenzamide (PubChem CID 119386824) has the molecular formula C17H24ClN3O2 and a molecular weight of 337.85 g/mol. Its IUPAC name is 2-chloro-5-(3-methylbutanoylamino)-N-piperidin-4-ylbenzamide.

Molecular Properties

Compound Name2-chloro-5-(3-methylbutanoylamino)-N-piperidin-4-ylbenzamide
PubChem CID119386824
Molecular FormulaC17H24ClN3O2
Molecular Weight337.85 g/mol
Exact Mass337.16
IUPAC Name2-chloro-5-(3-methylbutanoylamino)-N-piperidin-4-ylbenzamide
SMILESCC(C)CC(=O)Nc1ccc(Cl)c(C(=O)NC2CCNCC2)c1
InChIInChI=1S/C17H24ClN3O2/c1-11(2)9-16(22)20-13-3-4-15(18)14(10-13)17(23)21-12-5-7-19-8-6-12/h3-4,10-12,19H,5-9H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyHHBPTLLJKCEAIV-UHFFFAOYSA-N
XLogP2.81
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.85
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-(3,3-dimethylbutanoylamino)-N-piperidin-4-ylbenzamide;hydrochloride
CID 119390511
2-chloro-N-cyclopentyl-5-(propanoylamino)benzamide
CID 50875940
2-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-5-(3-methylbutanoylamino)benzamide
CID 110000959
2-chloro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-(3-methylbutanoylamino)benzamide;hydrochloride
CID 120948248
2,5-dichloro-N-piperidin-4-ylbenzamide
CID 43345741
5-[(2-aminoacetyl)amino]-2-chloro-N-cyclopropylbenzamide;hydrochloride
CID 119283832
N-[4-chloro-3-(1,4-diazepane-1-carbonyl)phenyl]-3-methylbutanamide;hydrochloride
CID 119415161
2-chloro-N-[3-(methylamino)propyl]-5-(3-methylbutanoylamino)benzamide
CID 119430523
N-(3-aminobutyl)-2-chloro-5-(3-methylbutanoylamino)benzamide;hydrochloride
CID 119495881
2-chloro-N-(2-methylpiperidin-4-yl)-5-(2-methylpropanoylamino)benzamide
CID 120598752
2-chloro-N-propyl-5-[[(3R)-pyrrolidin-3-yl]carbamoylamino]benzamide
CID 74238360
4-[[2-chloro-5-(3-methylbutanoylamino)benzoyl]amino]-2-methylbenzoic acid
CID 119240331

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(3-methylbutanoylamino)-N-piperidin-4-ylbenzamide?
The IUPAC name of 2-chloro-5-(3-methylbutanoylamino)-N-piperidin-4-ylbenzamide (CID 119386824) is 2-chloro-5-(3-methylbutanoylamino)-N-piperidin-4-ylbenzamide.
What is the SMILES notation for 2-chloro-5-(3-methylbutanoylamino)-N-piperidin-4-ylbenzamide?
The canonical SMILES for 2-chloro-5-(3-methylbutanoylamino)-N-piperidin-4-ylbenzamide is CC(C)CC(=O)Nc1ccc(Cl)c(C(=O)NC2CCNCC2)c1.
What is the InChIKey of 2-chloro-5-(3-methylbutanoylamino)-N-piperidin-4-ylbenzamide?
The InChIKey is HHBPTLLJKCEAIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O2/c1-11(2)9-16(22)20-13-3-4-15(18)14(10-13)17(23)21-12-5-7-19-8-6-12/h3-4,10-12,19H,5-9H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of 2-chloro-5-(3-methylbutanoylamino)-N-piperidin-4-ylbenzamide?
2-chloro-5-(3-methylbutanoylamino)-N-piperidin-4-ylbenzamide has a molecular weight of 337.85 g/mol, XLogP of 2.81, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(3-methylbutanoylamino)-N-piperidin-4-ylbenzamide is sourced from PubChem (CID 119386824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).