[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-cyclohexylmethanone

C17H29N3O2 — CID 119307245

IUPAC[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-cyclohexylmethanone
SMILESNC1(C(=O)N2CCN(C(=O)C3CCCCC3)CC2)CCCC1
InChIInChI=1S/C17H29N3O2/c18-17(8-4-5-9-17)16(22)20-12-10-19(11-13-20)15(21)14-6-2-1-3-7-14/h14H,1-13,18H2
InChIKeyRFKPLAXGPPNHMH-UHFFFAOYSA-N
MW307.44 g/mol
LogP1.51
Rot. Bonds2

About [4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-cyclohexylmethanone

[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-cyclohexylmethanone (PubChem CID 119307245) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is [4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-cyclohexylmethanone.

Molecular Properties

Compound Name[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-cyclohexylmethanone
PubChem CID119307245
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC Name[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-cyclohexylmethanone
SMILESNC1(C(=O)N2CCN(C(=O)C3CCCCC3)CC2)CCCC1
InChIInChI=1S/C17H29N3O2/c18-17(8-4-5-9-17)16(22)20-12-10-19(11-13-20)15(21)14-6-2-1-3-7-14/h14H,1-13,18H2
InChIKeyRFKPLAXGPPNHMH-UHFFFAOYSA-N
XLogP1.51
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-aminocyclopentyl)-(azepan-1-yl)methanone
CID 60867017
aziridin-1-yl(cyclohexyl)methanone
CID 2309619
[4-(4-aminooxane-4-carbonyl)piperazin-1-yl]-cyclopropylmethanone
CID 115294224
(1-aminocyclopentyl)-(4-cyclopentylpiperazin-1-yl)methanone;dihydrochloride
CID 119843053
1-[4-(cyclohexanecarbonyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 120691009
4-(1-aminocyclopentanecarbonyl)-N-cyclohexylpiperazine-1-carboxamide
CID 119291514
cycloheptyl(pyrrolidin-1-yl)methanone
CID 62778687
cyclohexyl(piperidin-1-yl)methanone
CID 12760854
(1-aminocyclopentyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 54916657
1-(1-aminocyclohexanecarbonyl)-N-methylpiperidine-4-carboxamide
CID 43579511
(1-aminocyclohexyl)-(3-azaspiro[5.5]undecan-3-yl)methanone
CID 62930739
N-[1-(1-aminocyclohexanecarbonyl)piperidin-4-yl]-N-methylacetamide;hydrochloride
CID 119306959

Frequently Asked Questions

What is the IUPAC name of [4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-cyclohexylmethanone?
The IUPAC name of [4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-cyclohexylmethanone (CID 119307245) is [4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-cyclohexylmethanone.
What is the SMILES notation for [4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-cyclohexylmethanone?
The canonical SMILES for [4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-cyclohexylmethanone is NC1(C(=O)N2CCN(C(=O)C3CCCCC3)CC2)CCCC1.
What is the InChIKey of [4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-cyclohexylmethanone?
The InChIKey is RFKPLAXGPPNHMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2/c18-17(8-4-5-9-17)16(22)20-12-10-19(11-13-20)15(21)14-6-2-1-3-7-14/h14H,1-13,18H2.
What are the key properties of [4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-cyclohexylmethanone?
[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-cyclohexylmethanone has a molecular weight of 307.44 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-cyclohexylmethanone is sourced from PubChem (CID 119307245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).