2-amino-1-[4-(cyclohexylmethyl)piperazin-1-yl]-3-phenylpropan-1-one

C20H31N3O — CID 119843113

IUPAC2-amino-1-[4-(cyclohexylmethyl)piperazin-1-yl]-3-phenylpropan-1-one
SMILESNC(Cc1ccccc1)C(=O)N1CCN(CC2CCCCC2)CC1
InChIInChI=1S/C20H31N3O/c21-19(15-17-7-3-1-4-8-17)20(24)23-13-11-22(12-14-23)16-18-9-5-2-6-10-18/h1,3-4,7-8,18-19H,2,5-6,9-16,21H2
InChIKeyLSWNYSCPUJRXPW-UHFFFAOYSA-N
MW329.49 g/mol
LogP2.28
Rot. Bonds5

About 2-amino-1-[4-(cyclohexylmethyl)piperazin-1-yl]-3-phenylpropan-1-one

2-amino-1-[4-(cyclohexylmethyl)piperazin-1-yl]-3-phenylpropan-1-one (PubChem CID 119843113) has the molecular formula C20H31N3O and a molecular weight of 329.49 g/mol. Its IUPAC name is 2-amino-1-[4-(cyclohexylmethyl)piperazin-1-yl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name2-amino-1-[4-(cyclohexylmethyl)piperazin-1-yl]-3-phenylpropan-1-one
PubChem CID119843113
Molecular FormulaC20H31N3O
Molecular Weight329.49 g/mol
Exact Mass329.25
IUPAC Name2-amino-1-[4-(cyclohexylmethyl)piperazin-1-yl]-3-phenylpropan-1-one
SMILESNC(Cc1ccccc1)C(=O)N1CCN(CC2CCCCC2)CC1
InChIInChI=1S/C20H31N3O/c21-19(15-17-7-3-1-4-8-17)20(24)23-13-11-22(12-14-23)16-18-9-5-2-6-10-18/h1,3-4,7-8,18-19H,2,5-6,9-16,21H2
InChIKeyLSWNYSCPUJRXPW-UHFFFAOYSA-N
XLogP2.28
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-1-(4-cyclobutylpiperazin-1-yl)-3-phenylpropan-1-one
CID 119887152
(2R)-2-amino-1-[4-(hydroxymethyl)piperidin-1-yl]-3-phenylpropan-1-one
CID 78985406
(2S)-2-amino-1-(4-ethylazepan-1-yl)-3-phenylpropan-1-one
CID 78992748
(2S)-2-amino-3-phenyl-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one
CID 119842941
(2R)-2-amino-1-[4-(2-methylpropyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 78984555
(2S)-2-amino-1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one
CID 2087046
(2S)-2-amino-1-(4-oxidopiperazin-1-yl)-3-phenylpropan-1-one
CID 88677274
2-amino-3-phenyl-1-[4-(2-phenylethyl)piperidin-1-yl]propan-1-one
CID 119276181
(2S)-2-amino-1-[4-(2-methylpropyl)piperazin-1-yl]-3-phenylpropan-1-one;dihydrochloride
CID 119831562
2-[1-(2-amino-3-phenylpropanoyl)piperidin-4-yl]acetamide
CID 60962563
2-[4-(2-amino-3-phenylpropanoyl)-1,4-diazepan-1-yl]-N,N-diethylacetamide
CID 119844043
1-[[1-[(2S)-2-amino-3-phenylpropanoyl]piperidin-4-yl]methyl]piperidin-2-one
CID 99775938

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-(cyclohexylmethyl)piperazin-1-yl]-3-phenylpropan-1-one?
The IUPAC name of 2-amino-1-[4-(cyclohexylmethyl)piperazin-1-yl]-3-phenylpropan-1-one (CID 119843113) is 2-amino-1-[4-(cyclohexylmethyl)piperazin-1-yl]-3-phenylpropan-1-one.
What is the SMILES notation for 2-amino-1-[4-(cyclohexylmethyl)piperazin-1-yl]-3-phenylpropan-1-one?
The canonical SMILES for 2-amino-1-[4-(cyclohexylmethyl)piperazin-1-yl]-3-phenylpropan-1-one is NC(Cc1ccccc1)C(=O)N1CCN(CC2CCCCC2)CC1.
What is the InChIKey of 2-amino-1-[4-(cyclohexylmethyl)piperazin-1-yl]-3-phenylpropan-1-one?
The InChIKey is LSWNYSCPUJRXPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O/c21-19(15-17-7-3-1-4-8-17)20(24)23-13-11-22(12-14-23)16-18-9-5-2-6-10-18/h1,3-4,7-8,18-19H,2,5-6,9-16,21H2.
What are the key properties of 2-amino-1-[4-(cyclohexylmethyl)piperazin-1-yl]-3-phenylpropan-1-one?
2-amino-1-[4-(cyclohexylmethyl)piperazin-1-yl]-3-phenylpropan-1-one has a molecular weight of 329.49 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-(cyclohexylmethyl)piperazin-1-yl]-3-phenylpropan-1-one is sourced from PubChem (CID 119843113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).