2-amino-1-[4-(3-cyclohexylpropanoyl)piperazin-1-yl]pentan-1-one

C18H33N3O2 — CID 119300410

IUPAC2-amino-1-[4-(3-cyclohexylpropanoyl)piperazin-1-yl]pentan-1-one
SMILESCCCC(N)C(=O)N1CCN(C(=O)CCC2CCCCC2)CC1
InChIInChI=1S/C18H33N3O2/c1-2-6-16(19)18(23)21-13-11-20(12-14-21)17(22)10-9-15-7-4-3-5-8-15/h15-16H,2-14,19H2,1H3
InChIKeyQYRBHBOTZLOARD-UHFFFAOYSA-N
MW323.48 g/mol
LogP2.15
Rot. Bonds6

About 2-amino-1-[4-(3-cyclohexylpropanoyl)piperazin-1-yl]pentan-1-one

2-amino-1-[4-(3-cyclohexylpropanoyl)piperazin-1-yl]pentan-1-one (PubChem CID 119300410) has the molecular formula C18H33N3O2 and a molecular weight of 323.48 g/mol. Its IUPAC name is 2-amino-1-[4-(3-cyclohexylpropanoyl)piperazin-1-yl]pentan-1-one.

Molecular Properties

Compound Name2-amino-1-[4-(3-cyclohexylpropanoyl)piperazin-1-yl]pentan-1-one
PubChem CID119300410
Molecular FormulaC18H33N3O2
Molecular Weight323.48 g/mol
Exact Mass323.26
IUPAC Name2-amino-1-[4-(3-cyclohexylpropanoyl)piperazin-1-yl]pentan-1-one
SMILESCCCC(N)C(=O)N1CCN(C(=O)CCC2CCCCC2)CC1
InChIInChI=1S/C18H33N3O2/c1-2-6-16(19)18(23)21-13-11-20(12-14-21)17(22)10-9-15-7-4-3-5-8-15/h15-16H,2-14,19H2,1H3
InChIKeyQYRBHBOTZLOARD-UHFFFAOYSA-N
XLogP2.15
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-1-[4-(3-cyclohexylpropanoyl)piperazin-1-yl]propan-1-one;hydrochloride
CID 119300407
4-amino-1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]pentan-1-one;hydrochloride
CID 120560088
1-[4-(1-aminoethyl)piperidin-1-yl]-3-cyclohexylpropan-1-one;hydrochloride
CID 119519992
1-[4-(1-aminoethyl)piperidin-1-yl]-3-cyclopentylpropan-1-one
CID 63596026
3-amino-1-[4-(3-cyclopentylpropanoyl)piperazin-1-yl]butan-1-one;hydrochloride
CID 119715775
1-[4-(1-aminoethyl)piperidin-1-yl]-3-cyclopentylpropan-1-one;hydrochloride
CID 119260463
2-amino-1-(azocan-1-yl)pentan-1-one;hydrochloride
CID 119264220
3-cyclopentyl-1-[4-(3-cyclopentylpropanoyl)-1,4-diazepan-1-yl]propan-1-one
CID 5202328
3-[1-[(2S)-2-aminopentanoyl]pyrrolidin-3-yl]propanoic acid
CID 103870649
2-amino-1-(3-propylpiperidin-1-yl)pentan-1-one;hydrochloride
CID 119337251
(2S)-2-amino-1-[4-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]piperidin-1-yl]pentan-1-one
CID 129425239
(2S)-2-amino-1-(4-propylpiperidin-1-yl)hexan-1-one
CID 113304805

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-(3-cyclohexylpropanoyl)piperazin-1-yl]pentan-1-one?
The IUPAC name of 2-amino-1-[4-(3-cyclohexylpropanoyl)piperazin-1-yl]pentan-1-one (CID 119300410) is 2-amino-1-[4-(3-cyclohexylpropanoyl)piperazin-1-yl]pentan-1-one.
What is the SMILES notation for 2-amino-1-[4-(3-cyclohexylpropanoyl)piperazin-1-yl]pentan-1-one?
The canonical SMILES for 2-amino-1-[4-(3-cyclohexylpropanoyl)piperazin-1-yl]pentan-1-one is CCCC(N)C(=O)N1CCN(C(=O)CCC2CCCCC2)CC1.
What is the InChIKey of 2-amino-1-[4-(3-cyclohexylpropanoyl)piperazin-1-yl]pentan-1-one?
The InChIKey is QYRBHBOTZLOARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O2/c1-2-6-16(19)18(23)21-13-11-20(12-14-21)17(22)10-9-15-7-4-3-5-8-15/h15-16H,2-14,19H2,1H3.
What are the key properties of 2-amino-1-[4-(3-cyclohexylpropanoyl)piperazin-1-yl]pentan-1-one?
2-amino-1-[4-(3-cyclohexylpropanoyl)piperazin-1-yl]pentan-1-one has a molecular weight of 323.48 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-(3-cyclohexylpropanoyl)piperazin-1-yl]pentan-1-one is sourced from PubChem (CID 119300410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).