1-[(3R)-3-aminopiperidin-1-yl]-3-cyclohexylpropan-1-one

C14H26N2O — CID 102978602

IUPAC1-[(3R)-3-aminopiperidin-1-yl]-3-cyclohexylpropan-1-one
SMILESN[C@@H]1CCCN(C(=O)CCC2CCCCC2)C1
InChIInChI=1S/C14H26N2O/c15-13-7-4-10-16(11-13)14(17)9-8-12-5-2-1-3-6-12/h12-13H,1-11,15H2/t13-/m1/s1
InChIKeyHZODMCBRORQSIG-CYBMUJFWSA-N
MW238.37 g/mol
LogP2.30
Rot. Bonds3

About 1-[(3R)-3-aminopiperidin-1-yl]-3-cyclohexylpropan-1-one

1-[(3R)-3-aminopiperidin-1-yl]-3-cyclohexylpropan-1-one (PubChem CID 102978602) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 1-[(3R)-3-aminopiperidin-1-yl]-3-cyclohexylpropan-1-one.

Molecular Properties

Compound Name1-[(3R)-3-aminopiperidin-1-yl]-3-cyclohexylpropan-1-one
PubChem CID102978602
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name1-[(3R)-3-aminopiperidin-1-yl]-3-cyclohexylpropan-1-one
SMILESN[C@@H]1CCCN(C(=O)CCC2CCCCC2)C1
InChIInChI=1S/C14H26N2O/c15-13-7-4-10-16(11-13)14(17)9-8-12-5-2-1-3-6-12/h12-13H,1-11,15H2/t13-/m1/s1
InChIKeyHZODMCBRORQSIG-CYBMUJFWSA-N
XLogP2.30
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-aminopiperidin-1-yl)-4-cyclobutylbutan-1-one
CID 115277271
1-[3-(2-aminoethyl)piperidin-1-yl]-3-cyclopentylpropan-1-one;hydrochloride
CID 120727419
1-(3-aminopiperidin-1-yl)-4,4-dimethylpentan-1-one
CID 115277222
3-amino-1-[(3R)-3-aminopiperidin-1-yl]propan-1-one
CID 130686202
3-cyclopentyl-1-[4-(3-cyclopentylpropanoyl)-1,4-diazepan-1-yl]propan-1-one
CID 5202328
1-(3-aminopiperidin-1-yl)-4-(oxan-4-yl)butan-1-one
CID 115277266
methyl 1-(3-cyclopentylpropanoyl)piperidine-3-carboxylate
CID 78919049
1-[3-(hydroxymethyl)piperidin-1-yl]-3-piperidin-4-ylpropan-1-one
CID 62212438
3-cyclopentyl-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119260323
1-[(3R)-3-aminopiperidin-1-yl]pent-4-en-1-one
CID 94547441
1-(3-aminopiperidin-1-yl)-3-cyclopentylsulfonylpropan-1-one
CID 119380997
4-(3-cyclohexylpropanoyl)-1,4-diazepane-1-carboxylic acid
CID 67493280

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-aminopiperidin-1-yl]-3-cyclohexylpropan-1-one?
The IUPAC name of 1-[(3R)-3-aminopiperidin-1-yl]-3-cyclohexylpropan-1-one (CID 102978602) is 1-[(3R)-3-aminopiperidin-1-yl]-3-cyclohexylpropan-1-one.
What is the SMILES notation for 1-[(3R)-3-aminopiperidin-1-yl]-3-cyclohexylpropan-1-one?
The canonical SMILES for 1-[(3R)-3-aminopiperidin-1-yl]-3-cyclohexylpropan-1-one is N[C@@H]1CCCN(C(=O)CCC2CCCCC2)C1.
What is the InChIKey of 1-[(3R)-3-aminopiperidin-1-yl]-3-cyclohexylpropan-1-one?
The InChIKey is HZODMCBRORQSIG-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H26N2O/c15-13-7-4-10-16(11-13)14(17)9-8-12-5-2-1-3-6-12/h12-13H,1-11,15H2/t13-/m1/s1.
What are the key properties of 1-[(3R)-3-aminopiperidin-1-yl]-3-cyclohexylpropan-1-one?
1-[(3R)-3-aminopiperidin-1-yl]-3-cyclohexylpropan-1-one has a molecular weight of 238.37 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-aminopiperidin-1-yl]-3-cyclohexylpropan-1-one is sourced from PubChem (CID 102978602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).