N-(cyclohexylmethyl)-2-cyclopentyl-2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]acetamide

C24H43N3O2 — CID 24719206

IUPACN-(cyclohexylmethyl)-2-cyclopentyl-2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]acetamide
SMILESCC(C)(C)CC(=O)N1CCN(C(C(=O)NCC2CCCCC2)C2CCCC2)CC1
InChIInChI=1S/C24H43N3O2/c1-24(2,3)17-21(28)26-13-15-27(16-14-26)22(20-11-7-8-12-20)23(29)25-18-19-9-5-4-6-10-19/h19-20,22H,4-18H2,1-3H3,(H,25,29)
InChIKeyNLGBELUXFBEYOS-UHFFFAOYSA-N
MW405.63 g/mol
LogP3.82
Rot. Bonds6

About N-(cyclohexylmethyl)-2-cyclopentyl-2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]acetamide

N-(cyclohexylmethyl)-2-cyclopentyl-2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]acetamide (PubChem CID 24719206) has the molecular formula C24H43N3O2 and a molecular weight of 405.63 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-cyclopentyl-2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-cyclopentyl-2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]acetamide
PubChem CID24719206
Molecular FormulaC24H43N3O2
Molecular Weight405.63 g/mol
Exact Mass405.34
IUPAC NameN-(cyclohexylmethyl)-2-cyclopentyl-2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]acetamide
SMILESCC(C)(C)CC(=O)N1CCN(C(C(=O)NCC2CCCCC2)C2CCCC2)CC1
InChIInChI=1S/C24H43N3O2/c1-24(2,3)17-21(28)26-13-15-27(16-14-26)22(20-11-7-8-12-20)23(29)25-18-19-9-5-4-6-10-19/h19-20,22H,4-18H2,1-3H3,(H,25,29)
InChIKeyNLGBELUXFBEYOS-UHFFFAOYSA-N
XLogP3.82
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.63
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-cyclopentyl-2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-N-(2-phenylethyl)acetamide
CID 93209356
2-cyclopentyl-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(cyclopropylmethyl)acetamide
CID 24719963
N-(4-acetamidophenyl)-2-cyclopentyl-2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]acetamide
CID 46027642
(2S)-N-(cyclohexylmethyl)-2-cyclopentyl-2-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]acetamide
CID 93210339
1-[4-[(1R)-1-cyclopentyl-2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]piperazin-1-yl]-3,3-dimethylbutan-1-one
CID 93208323
(2S)-2-cyclopentyl-N-(cyclopropylmethyl)-2-[4-(3-phenylpropanoyl)piperazin-1-yl]acetamide
CID 93210063
(2R)-2-cyclopentyl-2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-N-(3-methylphenyl)acetamide
CID 93221771
N-(cyclohexylmethyl)-2-cyclopentyl-2-[4-(2-fluorobenzoyl)piperazin-1-yl]acetamide
CID 46024614
2-cyclopentyl-N-[2-(diethylamino)ethyl]-2-[4-(2-methoxyacetyl)piperazin-1-yl]acetamide
CID 24719241
2-cyclopentyl-N-(cyclopropylmethyl)-2-[4-(3-fluorobenzoyl)piperazin-1-yl]acetamide
CID 42842621
2-cyclopentyl-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(2-methylpropyl)acetamide
CID 24719909
N-butan-2-yl-2-cyclopentyl-2-[4-(2-methoxyacetyl)piperazin-1-yl]acetamide
CID 42842484

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2-cyclopentyl-2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]acetamide?
The IUPAC name of N-(cyclohexylmethyl)-2-cyclopentyl-2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]acetamide (CID 24719206) is N-(cyclohexylmethyl)-2-cyclopentyl-2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-(cyclohexylmethyl)-2-cyclopentyl-2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-(cyclohexylmethyl)-2-cyclopentyl-2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]acetamide is CC(C)(C)CC(=O)N1CCN(C(C(=O)NCC2CCCCC2)C2CCCC2)CC1.
What is the InChIKey of N-(cyclohexylmethyl)-2-cyclopentyl-2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]acetamide?
The InChIKey is NLGBELUXFBEYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H43N3O2/c1-24(2,3)17-21(28)26-13-15-27(16-14-26)22(20-11-7-8-12-20)23(29)25-18-19-9-5-4-6-10-19/h19-20,22H,4-18H2,1-3H3,(H,25,29).
What are the key properties of N-(cyclohexylmethyl)-2-cyclopentyl-2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]acetamide?
N-(cyclohexylmethyl)-2-cyclopentyl-2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]acetamide has a molecular weight of 405.63 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-cyclopentyl-2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 24719206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).