N-cyclohexyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide

C20H29N3O2 — CID 50779791

IUPACN-cyclohexyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
SMILESO=C(CCN(C(=O)c1ccccc1)C1CCCCC1)N1CCNCC1
InChIInChI=1S/C20H29N3O2/c24-19(22-15-12-21-13-16-22)11-14-23(18-9-5-2-6-10-18)20(25)17-7-3-1-4-8-17/h1,3-4,7-8,18,21H,2,5-6,9-16H2
InChIKeyYUYYLRINLBIKMY-UHFFFAOYSA-N
MW343.47 g/mol
LogP2.28
Rot. Bonds5

About N-cyclohexyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide

N-cyclohexyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide (PubChem CID 50779791) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is N-cyclohexyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide.

Molecular Properties

Compound NameN-cyclohexyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
PubChem CID50779791
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC NameN-cyclohexyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
SMILESO=C(CCN(C(=O)c1ccccc1)C1CCCCC1)N1CCNCC1
InChIInChI=1S/C20H29N3O2/c24-19(22-15-12-21-13-16-22)11-14-23(18-9-5-2-6-10-18)20(25)17-7-3-1-4-8-17/h1,3-4,7-8,18,21H,2,5-6,9-16H2
InChIKeyYUYYLRINLBIKMY-UHFFFAOYSA-N
XLogP2.28
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-cyclopentyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779320
N-cyclopentyl-3-fluoro-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779421
4-cyano-N-cyclopentyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779382
N-cycloheptyl-3-methoxy-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779474
4-butoxy-N-cycloheptyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779475
N-cyclohexyl-N-(2-piperazin-1-ylsulfonylethyl)benzamide
CID 50820941
N-cyclopentyl-3,4-dimethoxy-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779422
4-acetamido-N-cyclopropyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779539
N-(1-benzylpiperidin-4-yl)-3,5-dimethyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779627
3-[cyclohexyl(methyl)amino]-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980278
3-[cyclopentyl(methyl)amino]-1-piperazin-1-ylpropan-1-one
CID 62543081
3-chloro-N-cyclopropyl-4-fluoro-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779560

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide?
The IUPAC name of N-cyclohexyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide (CID 50779791) is N-cyclohexyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide.
What is the SMILES notation for N-cyclohexyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide?
The canonical SMILES for N-cyclohexyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide is O=C(CCN(C(=O)c1ccccc1)C1CCCCC1)N1CCNCC1.
What is the InChIKey of N-cyclohexyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide?
The InChIKey is YUYYLRINLBIKMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c24-19(22-15-12-21-13-16-22)11-14-23(18-9-5-2-6-10-18)20(25)17-7-3-1-4-8-17/h1,3-4,7-8,18,21H,2,5-6,9-16H2.
What are the key properties of N-cyclohexyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide?
N-cyclohexyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide has a molecular weight of 343.47 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide is sourced from PubChem (CID 50779791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).