N-cyclopentyl-4-(2,4,5-trimethylbenzoyl)piperazine-1-carboxamide

C20H29N3O2 — CID 110812610

IUPACN-cyclopentyl-4-(2,4,5-trimethylbenzoyl)piperazine-1-carboxamide
SMILESCc1cc(C)c(C(=O)N2CCN(C(=O)NC3CCCC3)CC2)cc1C
InChIInChI=1S/C20H29N3O2/c1-14-12-16(3)18(13-15(14)2)19(24)22-8-10-23(11-9-22)20(25)21-17-6-4-5-7-17/h12-13,17H,4-11H2,1-3H3,(H,21,25)
InChIKeyDFHNPNHYAYEUHN-UHFFFAOYSA-N
MW343.47 g/mol
LogP3.02
Rot. Bonds2

About N-cyclopentyl-4-(2,4,5-trimethylbenzoyl)piperazine-1-carboxamide

N-cyclopentyl-4-(2,4,5-trimethylbenzoyl)piperazine-1-carboxamide (PubChem CID 110812610) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is N-cyclopentyl-4-(2,4,5-trimethylbenzoyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-4-(2,4,5-trimethylbenzoyl)piperazine-1-carboxamide
PubChem CID110812610
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC NameN-cyclopentyl-4-(2,4,5-trimethylbenzoyl)piperazine-1-carboxamide
SMILESCc1cc(C)c(C(=O)N2CCN(C(=O)NC3CCCC3)CC2)cc1C
InChIInChI=1S/C20H29N3O2/c1-14-12-16(3)18(13-15(14)2)19(24)22-8-10-23(11-9-22)20(25)21-17-6-4-5-7-17/h12-13,17H,4-11H2,1-3H3,(H,21,25)
InChIKeyDFHNPNHYAYEUHN-UHFFFAOYSA-N
XLogP3.02
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopentyl-4-(2,4-dimethylbenzoyl)piperazine-1-carboxamide
CID 110812326
N-cyclopentyl-4-(2-methylbenzoyl)-1,4-diazepane-1-carboxamide
CID 110811448
N-cyclohexyl-4-(2-methyl-5-methylsulfonylbenzoyl)piperazine-1-carboxamide
CID 55558241
N-cyclopentyl-4-(2-methyl-5-propan-2-ylbenzoyl)-1,4-diazepane-1-carboxamide
CID 110813643
N-cyclohexyl-4-(2,5-dimethyl-1H-pyrrole-3-carbonyl)-1,4-diazepane-1-carboxamide
CID 110813715
cyclopropyl-[4-(2,4,5-trimethylbenzoyl)piperazin-1-yl]methanone
CID 110800460
N-cyclopentyl-4-(2,5-difluorobenzoyl)piperazine-1-carboxamide
CID 110812430
cyclobutyl-[4-(2,4,5-trimethylbenzoyl)-1,4-diazepan-1-yl]methanone
CID 110809344
N-cyclopentyl-4-(2,6-dimethoxybenzoyl)piperazine-1-carboxamide
CID 110810749
N-cyclopentyl-4-(3-methylbenzoyl)-1,4-diazepane-1-carboxamide
CID 38217781
4-(4-acetamidobenzoyl)-N-cyclohexylpiperazine-1-carboxamide
CID 110812233
[(3S)-3-anilinopiperidin-1-yl]-(2,4,5-trimethylphenyl)methanone
CID 95713283

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-(2,4,5-trimethylbenzoyl)piperazine-1-carboxamide?
The IUPAC name of N-cyclopentyl-4-(2,4,5-trimethylbenzoyl)piperazine-1-carboxamide (CID 110812610) is N-cyclopentyl-4-(2,4,5-trimethylbenzoyl)piperazine-1-carboxamide.
What is the SMILES notation for N-cyclopentyl-4-(2,4,5-trimethylbenzoyl)piperazine-1-carboxamide?
The canonical SMILES for N-cyclopentyl-4-(2,4,5-trimethylbenzoyl)piperazine-1-carboxamide is Cc1cc(C)c(C(=O)N2CCN(C(=O)NC3CCCC3)CC2)cc1C.
What is the InChIKey of N-cyclopentyl-4-(2,4,5-trimethylbenzoyl)piperazine-1-carboxamide?
The InChIKey is DFHNPNHYAYEUHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-14-12-16(3)18(13-15(14)2)19(24)22-8-10-23(11-9-22)20(25)21-17-6-4-5-7-17/h12-13,17H,4-11H2,1-3H3,(H,21,25).
What are the key properties of N-cyclopentyl-4-(2,4,5-trimethylbenzoyl)piperazine-1-carboxamide?
N-cyclopentyl-4-(2,4,5-trimethylbenzoyl)piperazine-1-carboxamide has a molecular weight of 343.47 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-(2,4,5-trimethylbenzoyl)piperazine-1-carboxamide is sourced from PubChem (CID 110812610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).