(1-aminocyclopropyl)-[4-(cyclohexylmethyl)piperazin-1-yl]methanone

C15H27N3O — CID 119843097

IUPAC(1-aminocyclopropyl)-[4-(cyclohexylmethyl)piperazin-1-yl]methanone
SMILESNC1(C(=O)N2CCN(CC3CCCCC3)CC2)CC1
InChIInChI=1S/C15H27N3O/c16-15(6-7-15)14(19)18-10-8-17(9-11-18)12-13-4-2-1-3-5-13/h13H,1-12,16H2
InChIKeyFMJVOAJIFPATHT-UHFFFAOYSA-N
MW265.40 g/mol
LogP1.20
Rot. Bonds3

About (1-aminocyclopropyl)-[4-(cyclohexylmethyl)piperazin-1-yl]methanone

(1-aminocyclopropyl)-[4-(cyclohexylmethyl)piperazin-1-yl]methanone (PubChem CID 119843097) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is (1-aminocyclopropyl)-[4-(cyclohexylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(1-aminocyclopropyl)-[4-(cyclohexylmethyl)piperazin-1-yl]methanone
PubChem CID119843097
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name(1-aminocyclopropyl)-[4-(cyclohexylmethyl)piperazin-1-yl]methanone
SMILESNC1(C(=O)N2CCN(CC3CCCCC3)CC2)CC1
InChIInChI=1S/C15H27N3O/c16-15(6-7-15)14(19)18-10-8-17(9-11-18)12-13-4-2-1-3-5-13/h13H,1-12,16H2
InChIKeyFMJVOAJIFPATHT-UHFFFAOYSA-N
XLogP1.20
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-3-cyclohexylpropan-1-one;hydrochloride
CID 119743478
(1-aminocyclohexyl)-[3-(azepan-1-ylmethyl)piperidin-1-yl]methanone;dihydrochloride
CID 119875759
2-amino-1-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]ethanone
CID 119859709
(1-aminocyclohexyl)-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone
CID 60937349
(1-aminocyclopropyl)-[4-[(2,6-dimethylmorpholin-4-yl)methyl]piperidin-1-yl]methanone
CID 119867461
2-[1-(1-aminocyclopropanecarbonyl)piperidin-4-yl]-1-(4-ethylpiperazin-1-yl)ethanone
CID 119879418
2-[4-(1-aminocyclopropanecarbonyl)piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
CID 119851376
[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]-cyclohexylmethanone
CID 119307245
3-amino-1-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]butan-1-one
CID 119859721
4-(cyclohexylmethyl)piperazine-1-carbodithioic acid
CID 155294687
[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride
CID 119859716
2-[4-(1-aminocyclohexanecarbonyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone;dihydrochloride
CID 119833997

Frequently Asked Questions

What is the IUPAC name of (1-aminocyclopropyl)-[4-(cyclohexylmethyl)piperazin-1-yl]methanone?
The IUPAC name of (1-aminocyclopropyl)-[4-(cyclohexylmethyl)piperazin-1-yl]methanone (CID 119843097) is (1-aminocyclopropyl)-[4-(cyclohexylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (1-aminocyclopropyl)-[4-(cyclohexylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for (1-aminocyclopropyl)-[4-(cyclohexylmethyl)piperazin-1-yl]methanone is NC1(C(=O)N2CCN(CC3CCCCC3)CC2)CC1.
What is the InChIKey of (1-aminocyclopropyl)-[4-(cyclohexylmethyl)piperazin-1-yl]methanone?
The InChIKey is FMJVOAJIFPATHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c16-15(6-7-15)14(19)18-10-8-17(9-11-18)12-13-4-2-1-3-5-13/h13H,1-12,16H2.
What are the key properties of (1-aminocyclopropyl)-[4-(cyclohexylmethyl)piperazin-1-yl]methanone?
(1-aminocyclopropyl)-[4-(cyclohexylmethyl)piperazin-1-yl]methanone has a molecular weight of 265.40 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-aminocyclopropyl)-[4-(cyclohexylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 119843097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).