N-cyclopentyl-3,4-dimethoxy-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide

C21H31N3O4 — CID 50779422

IUPACN-cyclopentyl-3,4-dimethoxy-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
SMILESCOc1ccc(C(=O)N(CCC(=O)N2CCNCC2)C2CCCC2)cc1OC
InChIInChI=1S/C21H31N3O4/c1-27-18-8-7-16(15-19(18)28-2)21(26)24(17-5-3-4-6-17)12-9-20(25)23-13-10-22-11-14-23/h7-8,15,17,22H,3-6,9-14H2,1-2H3
InChIKeyDNDWUKUQGCPPIV-UHFFFAOYSA-N
MW389.50 g/mol
LogP1.91
Rot. Bonds7

About N-cyclopentyl-3,4-dimethoxy-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide

N-cyclopentyl-3,4-dimethoxy-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide (PubChem CID 50779422) has the molecular formula C21H31N3O4 and a molecular weight of 389.50 g/mol. Its IUPAC name is N-cyclopentyl-3,4-dimethoxy-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide.

Molecular Properties

Compound NameN-cyclopentyl-3,4-dimethoxy-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
PubChem CID50779422
Molecular FormulaC21H31N3O4
Molecular Weight389.50 g/mol
Exact Mass389.23
IUPAC NameN-cyclopentyl-3,4-dimethoxy-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
SMILESCOc1ccc(C(=O)N(CCC(=O)N2CCNCC2)C2CCCC2)cc1OC
InChIInChI=1S/C21H31N3O4/c1-27-18-8-7-16(15-19(18)28-2)21(26)24(17-5-3-4-6-17)12-9-20(25)23-13-10-22-11-14-23/h7-8,15,17,22H,3-6,9-14H2,1-2H3
InChIKeyDNDWUKUQGCPPIV-UHFFFAOYSA-N
XLogP1.91
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cycloheptyl-3-methoxy-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779474
4-bromo-N-cyclopentyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779320
4-butoxy-N-cycloheptyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779475
N-cyclohexyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779791
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
3,4-dimethoxy-N-(3-oxo-3-piperazin-1-ylpropyl)-N-(2-phenylethyl)benzamide
CID 50779264
3-chloro-N-cyclopropyl-4-fluoro-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779560
4-acetamido-N-cyclopropyl-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide
CID 50779539
N-cycloheptyl-3,4-dimethoxy-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide
CID 50788557
3-[cyclopentyl(methyl)amino]-1-piperazin-1-ylpropan-1-one
CID 62543081
N-[(4-bromophenyl)methyl]-3,4-dimethoxy-N-(2-oxo-2-piperazin-1-ylethyl)benzamide
CID 20934292

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3,4-dimethoxy-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide?
The IUPAC name of N-cyclopentyl-3,4-dimethoxy-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide (CID 50779422) is N-cyclopentyl-3,4-dimethoxy-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide.
What is the SMILES notation for N-cyclopentyl-3,4-dimethoxy-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide?
The canonical SMILES for N-cyclopentyl-3,4-dimethoxy-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide is COc1ccc(C(=O)N(CCC(=O)N2CCNCC2)C2CCCC2)cc1OC.
What is the InChIKey of N-cyclopentyl-3,4-dimethoxy-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide?
The InChIKey is DNDWUKUQGCPPIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O4/c1-27-18-8-7-16(15-19(18)28-2)21(26)24(17-5-3-4-6-17)12-9-20(25)23-13-10-22-11-14-23/h7-8,15,17,22H,3-6,9-14H2,1-2H3.
What are the key properties of N-cyclopentyl-3,4-dimethoxy-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide?
N-cyclopentyl-3,4-dimethoxy-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide has a molecular weight of 389.50 g/mol, XLogP of 1.91, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3,4-dimethoxy-N-(3-oxo-3-piperazin-1-ylpropyl)benzamide is sourced from PubChem (CID 50779422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).