[4-(3-aminocyclopentanecarbonyl)piperazin-1-yl]-cyclohexylmethanone;hydrochloride

C17H30ClN3O2 — CID 119755471

IUPAC[4-(3-aminocyclopentanecarbonyl)piperazin-1-yl]-cyclohexylmethanone;hydrochloride
SMILESCl.NC1CCC(C(=O)N2CCN(C(=O)C3CCCCC3)CC2)C1
InChIInChI=1S/C17H29N3O2.ClH/c18-15-7-6-14(12-15)17(22)20-10-8-19(9-11-20)16(21)13-4-2-1-3-5-13;/h13-15H,1-12,18H2;1H
InChIKeyJWORMEHCGGBLEX-UHFFFAOYSA-N
MW343.90 g/mol
LogP1.79
Rot. Bonds2

About [4-(3-aminocyclopentanecarbonyl)piperazin-1-yl]-cyclohexylmethanone;hydrochloride

[4-(3-aminocyclopentanecarbonyl)piperazin-1-yl]-cyclohexylmethanone;hydrochloride (PubChem CID 119755471) has the molecular formula C17H30ClN3O2 and a molecular weight of 343.90 g/mol. Its IUPAC name is [4-(3-aminocyclopentanecarbonyl)piperazin-1-yl]-cyclohexylmethanone;hydrochloride.

Molecular Properties

Compound Name[4-(3-aminocyclopentanecarbonyl)piperazin-1-yl]-cyclohexylmethanone;hydrochloride
PubChem CID119755471
Molecular FormulaC17H30ClN3O2
Molecular Weight343.90 g/mol
Exact Mass343.20
IUPAC Name[4-(3-aminocyclopentanecarbonyl)piperazin-1-yl]-cyclohexylmethanone;hydrochloride
SMILESCl.NC1CCC(C(=O)N2CCN(C(=O)C3CCCCC3)CC2)C1
InChIInChI=1S/C17H29N3O2.ClH/c18-15-7-6-14(12-15)17(22)20-10-8-19(9-11-20)16(21)13-4-2-1-3-5-13;/h13-15H,1-12,18H2;1H
InChIKeyJWORMEHCGGBLEX-UHFFFAOYSA-N
XLogP1.79
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.90
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(1S,3S)-3-aminocyclopentyl]-pyrrolidin-1-ylmethanone
CID 97030843
(3-aminocyclohexyl)-(azepan-1-yl)methanone;hydrochloride
CID 119669540
(3-aminocyclopentyl)-(azetidin-1-yl)methanone
CID 130546940
(3-aminocyclohexyl)-(azepan-1-yl)methanone
CID 62777003
1-[4-(3-aminocyclohexanecarbonyl)piperazin-1-yl]ethanone;hydrochloride
CID 119399092
aziridin-1-yl(cyclohexyl)methanone
CID 2309619
(3-aminocyclohexyl)-(4-cyclobutylpiperazin-1-yl)methanone;dihydrochloride
CID 119887153
1-[4-(3-aminocyclopentanecarbonyl)piperazin-1-yl]-3-cyclopentylpropan-1-one
CID 119715746
[(1R,3S)-3-aminocyclohexyl]-(4-fluoropiperidin-1-yl)methanone;hydrochloride
CID 154910496
1-[4-(3-aminocyclopentanecarbonyl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone
CID 119876001
1-(3-aminocyclopentanecarbonyl)piperidine-4-carboxamide
CID 66030476
[(1S,3R)-3-aminocyclopentyl]-(4,4-difluoropiperidin-1-yl)methanone;hydrochloride
CID 154910969

Frequently Asked Questions

What is the IUPAC name of [4-(3-aminocyclopentanecarbonyl)piperazin-1-yl]-cyclohexylmethanone;hydrochloride?
The IUPAC name of [4-(3-aminocyclopentanecarbonyl)piperazin-1-yl]-cyclohexylmethanone;hydrochloride (CID 119755471) is [4-(3-aminocyclopentanecarbonyl)piperazin-1-yl]-cyclohexylmethanone;hydrochloride.
What is the SMILES notation for [4-(3-aminocyclopentanecarbonyl)piperazin-1-yl]-cyclohexylmethanone;hydrochloride?
The canonical SMILES for [4-(3-aminocyclopentanecarbonyl)piperazin-1-yl]-cyclohexylmethanone;hydrochloride is Cl.NC1CCC(C(=O)N2CCN(C(=O)C3CCCCC3)CC2)C1.
What is the InChIKey of [4-(3-aminocyclopentanecarbonyl)piperazin-1-yl]-cyclohexylmethanone;hydrochloride?
The InChIKey is JWORMEHCGGBLEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2.ClH/c18-15-7-6-14(12-15)17(22)20-10-8-19(9-11-20)16(21)13-4-2-1-3-5-13;/h13-15H,1-12,18H2;1H.
What are the key properties of [4-(3-aminocyclopentanecarbonyl)piperazin-1-yl]-cyclohexylmethanone;hydrochloride?
[4-(3-aminocyclopentanecarbonyl)piperazin-1-yl]-cyclohexylmethanone;hydrochloride has a molecular weight of 343.90 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-aminocyclopentanecarbonyl)piperazin-1-yl]-cyclohexylmethanone;hydrochloride is sourced from PubChem (CID 119755471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).