3-chloro-N-(1-methylcyclopropyl)-4-piperazin-1-ylbenzamide

C15H20ClN3O — CID 135187431

IUPAC3-chloro-N-(1-methylcyclopropyl)-4-piperazin-1-ylbenzamide
SMILESCC1(NC(=O)c2ccc(N3CCNCC3)c(Cl)c2)CC1
InChIInChI=1S/C15H20ClN3O/c1-15(4-5-15)18-14(20)11-2-3-13(12(16)10-11)19-8-6-17-7-9-19/h2-3,10,17H,4-9H2,1H3,(H,18,20)
InChIKeyUIZYUMKUOMNPLC-UHFFFAOYSA-N
MW293.80 g/mol
LogP2.03
Rot. Bonds3

About 3-chloro-N-(1-methylcyclopropyl)-4-piperazin-1-ylbenzamide

3-chloro-N-(1-methylcyclopropyl)-4-piperazin-1-ylbenzamide (PubChem CID 135187431) has the molecular formula C15H20ClN3O and a molecular weight of 293.80 g/mol. Its IUPAC name is 3-chloro-N-(1-methylcyclopropyl)-4-piperazin-1-ylbenzamide.

Molecular Properties

Compound Name3-chloro-N-(1-methylcyclopropyl)-4-piperazin-1-ylbenzamide
PubChem CID135187431
Molecular FormulaC15H20ClN3O
Molecular Weight293.80 g/mol
Exact Mass293.13
IUPAC Name3-chloro-N-(1-methylcyclopropyl)-4-piperazin-1-ylbenzamide
SMILESCC1(NC(=O)c2ccc(N3CCNCC3)c(Cl)c2)CC1
InChIInChI=1S/C15H20ClN3O/c1-15(4-5-15)18-14(20)11-2-3-13(12(16)10-11)19-8-6-17-7-9-19/h2-3,10,17H,4-9H2,1H3,(H,18,20)
InChIKeyUIZYUMKUOMNPLC-UHFFFAOYSA-N
XLogP2.03
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-methyl-4-piperazin-1-ylbenzamide;hydrochloride
CID 66777061
3-chloro-4-hydroxy-N-(4-methylpiperidin-4-yl)benzamide
CID 114696153
(3-chloro-4-piperazin-1-ylphenyl)-(4-fluoro-4-methylpiperidin-1-yl)methanone
CID 174193797
3-chloro-4-iodo-N-(1-methylcyclohexyl)benzamide
CID 103222033
3-chloro-4-(3,3-dimethylazetidin-1-yl)benzoic acid
CID 79694163
N-[(3S,5R)-3,5-dimethyl-1-adamantyl]-3-nitro-4-piperazin-1-ylbenzamide
CID 7319953
3-chloro-N-(1-methylcyclopropyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
CID 176731238
3-methyl-4-piperazin-1-yl-N-propylbenzamide
CID 28749402
3-chloro-N-[(1S)-1-(6-chloro-1H-benzimidazol-2-yl)ethyl]-4-(1,4-diazepan-1-yl)benzamide
CID 11154693
3,4-dichloro-N-(3-nitro-4-piperazin-1-ylphenyl)benzamide
CID 28689107
4-chloro-N-(1-methylcyclopropyl)-3-nitrobenzamide
CID 18712030
3,4-dichloro-N-(5-piperazin-1-yl-2-pyridinyl)benzamide
CID 119494091

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(1-methylcyclopropyl)-4-piperazin-1-ylbenzamide?
The IUPAC name of 3-chloro-N-(1-methylcyclopropyl)-4-piperazin-1-ylbenzamide (CID 135187431) is 3-chloro-N-(1-methylcyclopropyl)-4-piperazin-1-ylbenzamide.
What is the SMILES notation for 3-chloro-N-(1-methylcyclopropyl)-4-piperazin-1-ylbenzamide?
The canonical SMILES for 3-chloro-N-(1-methylcyclopropyl)-4-piperazin-1-ylbenzamide is CC1(NC(=O)c2ccc(N3CCNCC3)c(Cl)c2)CC1.
What is the InChIKey of 3-chloro-N-(1-methylcyclopropyl)-4-piperazin-1-ylbenzamide?
The InChIKey is UIZYUMKUOMNPLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O/c1-15(4-5-15)18-14(20)11-2-3-13(12(16)10-11)19-8-6-17-7-9-19/h2-3,10,17H,4-9H2,1H3,(H,18,20).
What are the key properties of 3-chloro-N-(1-methylcyclopropyl)-4-piperazin-1-ylbenzamide?
3-chloro-N-(1-methylcyclopropyl)-4-piperazin-1-ylbenzamide has a molecular weight of 293.80 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(1-methylcyclopropyl)-4-piperazin-1-ylbenzamide is sourced from PubChem (CID 135187431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).