2-amino-1-[4-(4-methylcyclohexyl)piperazin-1-yl]-2-phenylethanone

C19H29N3O — CID 119887445

IUPAC2-amino-1-[4-(4-methylcyclohexyl)piperazin-1-yl]-2-phenylethanone
SMILESCC1CCC(N2CCN(C(=O)C(N)c3ccccc3)CC2)CC1
InChIInChI=1S/C19H29N3O/c1-15-7-9-17(10-8-15)21-11-13-22(14-12-21)19(23)18(20)16-5-3-2-4-6-16/h2-6,15,17-18H,7-14,20H2,1H3
InChIKeyFDVIPRORHNRROY-UHFFFAOYSA-N
MW315.46 g/mol
LogP2.41
Rot. Bonds3

About 2-amino-1-[4-(4-methylcyclohexyl)piperazin-1-yl]-2-phenylethanone

2-amino-1-[4-(4-methylcyclohexyl)piperazin-1-yl]-2-phenylethanone (PubChem CID 119887445) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is 2-amino-1-[4-(4-methylcyclohexyl)piperazin-1-yl]-2-phenylethanone.

Molecular Properties

Compound Name2-amino-1-[4-(4-methylcyclohexyl)piperazin-1-yl]-2-phenylethanone
PubChem CID119887445
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC Name2-amino-1-[4-(4-methylcyclohexyl)piperazin-1-yl]-2-phenylethanone
SMILESCC1CCC(N2CCN(C(=O)C(N)c3ccccc3)CC2)CC1
InChIInChI=1S/C19H29N3O/c1-15-7-9-17(10-8-15)21-11-13-22(14-12-21)19(23)18(20)16-5-3-2-4-6-16/h2-6,15,17-18H,7-14,20H2,1H3
InChIKeyFDVIPRORHNRROY-UHFFFAOYSA-N
XLogP2.41
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-phenyl-1-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanone;dihydrochloride
CID 119843387
2-amino-1-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-2-phenylethanone
CID 119297409
(2S)-1-(4-acetylpiperazin-1-yl)-2-amino-2-phenylethanone
CID 22691647
2-amino-2-phenyl-1-pyrrolidin-1-ylethanone
CID 24693981
(2R)-2-amino-2-phenyl-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanone
CID 63166896
(2S)-2-amino-1-[(3R)-3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-2-phenylethanone
CID 99852464
2-amino-1-(3,4-dimethylpiperidin-1-yl)-2-phenylethanone
CID 86784489
(2R)-2-amino-1-(4-tert-butylpiperidin-1-yl)-2-phenylethanone
CID 62083998
(2R)-2-amino-1-(4-methoxypiperidin-1-yl)-2-phenylethanone
CID 61156075
(2S)-2-amino-1-(azocan-1-yl)-2-phenylethanone
CID 28801220
(2S)-2-amino-1-(4-tert-butylpiperazin-1-yl)-2-phenylethanone
CID 104897697
2-amino-2-phenyl-1-(4-phenylpiperidin-1-yl)ethanone
CID 119278410

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-(4-methylcyclohexyl)piperazin-1-yl]-2-phenylethanone?
The IUPAC name of 2-amino-1-[4-(4-methylcyclohexyl)piperazin-1-yl]-2-phenylethanone (CID 119887445) is 2-amino-1-[4-(4-methylcyclohexyl)piperazin-1-yl]-2-phenylethanone.
What is the SMILES notation for 2-amino-1-[4-(4-methylcyclohexyl)piperazin-1-yl]-2-phenylethanone?
The canonical SMILES for 2-amino-1-[4-(4-methylcyclohexyl)piperazin-1-yl]-2-phenylethanone is CC1CCC(N2CCN(C(=O)C(N)c3ccccc3)CC2)CC1.
What is the InChIKey of 2-amino-1-[4-(4-methylcyclohexyl)piperazin-1-yl]-2-phenylethanone?
The InChIKey is FDVIPRORHNRROY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O/c1-15-7-9-17(10-8-15)21-11-13-22(14-12-21)19(23)18(20)16-5-3-2-4-6-16/h2-6,15,17-18H,7-14,20H2,1H3.
What are the key properties of 2-amino-1-[4-(4-methylcyclohexyl)piperazin-1-yl]-2-phenylethanone?
2-amino-1-[4-(4-methylcyclohexyl)piperazin-1-yl]-2-phenylethanone has a molecular weight of 315.46 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-(4-methylcyclohexyl)piperazin-1-yl]-2-phenylethanone is sourced from PubChem (CID 119887445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).