3-amino-2-methyl-1-[4-(4-methylcyclohexyl)oxypiperidin-1-yl]-3-phenylpropan-1-one

C22H34N2O2 — CID 119779820

IUPAC3-amino-2-methyl-1-[4-(4-methylcyclohexyl)oxypiperidin-1-yl]-3-phenylpropan-1-one
SMILESCC1CCC(OC2CCN(C(=O)C(C)C(N)c3ccccc3)CC2)CC1
InChIInChI=1S/C22H34N2O2/c1-16-8-10-19(11-9-16)26-20-12-14-24(15-13-20)22(25)17(2)21(23)18-6-4-3-5-7-18/h3-7,16-17,19-21H,8-15,23H2,1-2H3
InChIKeyGRMSKQUGKOWNQW-UHFFFAOYSA-N
MW358.53 g/mol
LogP3.91
Rot. Bonds5

About 3-amino-2-methyl-1-[4-(4-methylcyclohexyl)oxypiperidin-1-yl]-3-phenylpropan-1-one

3-amino-2-methyl-1-[4-(4-methylcyclohexyl)oxypiperidin-1-yl]-3-phenylpropan-1-one (PubChem CID 119779820) has the molecular formula C22H34N2O2 and a molecular weight of 358.53 g/mol. Its IUPAC name is 3-amino-2-methyl-1-[4-(4-methylcyclohexyl)oxypiperidin-1-yl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name3-amino-2-methyl-1-[4-(4-methylcyclohexyl)oxypiperidin-1-yl]-3-phenylpropan-1-one
PubChem CID119779820
Molecular FormulaC22H34N2O2
Molecular Weight358.53 g/mol
Exact Mass358.26
IUPAC Name3-amino-2-methyl-1-[4-(4-methylcyclohexyl)oxypiperidin-1-yl]-3-phenylpropan-1-one
SMILESCC1CCC(OC2CCN(C(=O)C(C)C(N)c3ccccc3)CC2)CC1
InChIInChI=1S/C22H34N2O2/c1-16-8-10-19(11-9-16)26-20-12-14-24(15-13-20)22(25)17(2)21(23)18-6-4-3-5-7-18/h3-7,16-17,19-21H,8-15,23H2,1-2H3
InChIKeyGRMSKQUGKOWNQW-UHFFFAOYSA-N
XLogP3.91
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.53
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3S)-3-amino-1-(azocan-1-yl)-2-methyl-3-phenylpropan-1-one
CID 99627539
2-amino-1-[4-(4-methylcyclohexyl)oxypiperidin-1-yl]-2-(4-methylphenyl)ethanone
CID 120668374
3-amino-1-(4-benzoylpiperazin-1-yl)-2-methyl-3-phenylpropan-1-one
CID 119683429
3-amino-2-methyl-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]-3-phenylpropan-1-one
CID 119687542
3-amino-1-(4-benzoylpiperazin-1-yl)-2-methyl-3-phenylpropan-1-one;hydrochloride
CID 119683428
3-amino-1-(3-benzylpyrrolidin-1-yl)-2-methyl-3-phenylpropan-1-one
CID 119725030
3-amino-1-(4-cyclopentyl-1,4-diazepan-1-yl)-2-methyl-3-phenylpropan-1-one;dihydrochloride
CID 119871606
3-amino-2-methyl-1-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-3-phenylpropan-1-one;dihydrochloride
CID 119867570
N-[1-(3-amino-2-methyl-3-phenylpropanoyl)piperidin-4-yl]-2-methylbenzamide
CID 119721458
3-amino-1-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-2-methyl-3-phenylpropan-1-one
CID 119859689
(2R)-2-amino-1-(4-methoxypiperidin-1-yl)-2-phenylethanone
CID 61156075
2-[1-(3-amino-2-methyl-3-phenylpropanoyl)azetidin-3-yl]propanoic acid
CID 116682227

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-1-[4-(4-methylcyclohexyl)oxypiperidin-1-yl]-3-phenylpropan-1-one?
The IUPAC name of 3-amino-2-methyl-1-[4-(4-methylcyclohexyl)oxypiperidin-1-yl]-3-phenylpropan-1-one (CID 119779820) is 3-amino-2-methyl-1-[4-(4-methylcyclohexyl)oxypiperidin-1-yl]-3-phenylpropan-1-one.
What is the SMILES notation for 3-amino-2-methyl-1-[4-(4-methylcyclohexyl)oxypiperidin-1-yl]-3-phenylpropan-1-one?
The canonical SMILES for 3-amino-2-methyl-1-[4-(4-methylcyclohexyl)oxypiperidin-1-yl]-3-phenylpropan-1-one is CC1CCC(OC2CCN(C(=O)C(C)C(N)c3ccccc3)CC2)CC1.
What is the InChIKey of 3-amino-2-methyl-1-[4-(4-methylcyclohexyl)oxypiperidin-1-yl]-3-phenylpropan-1-one?
The InChIKey is GRMSKQUGKOWNQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O2/c1-16-8-10-19(11-9-16)26-20-12-14-24(15-13-20)22(25)17(2)21(23)18-6-4-3-5-7-18/h3-7,16-17,19-21H,8-15,23H2,1-2H3.
What are the key properties of 3-amino-2-methyl-1-[4-(4-methylcyclohexyl)oxypiperidin-1-yl]-3-phenylpropan-1-one?
3-amino-2-methyl-1-[4-(4-methylcyclohexyl)oxypiperidin-1-yl]-3-phenylpropan-1-one has a molecular weight of 358.53 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methyl-1-[4-(4-methylcyclohexyl)oxypiperidin-1-yl]-3-phenylpropan-1-one is sourced from PubChem (CID 119779820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).