2-(cyclohexylmethyl)-1-[4-(methylamino)piperidin-1-yl]pentan-1-one

C18H34N2O — CID 119562388

IUPAC2-(cyclohexylmethyl)-1-[4-(methylamino)piperidin-1-yl]pentan-1-one
SMILESCCCC(CC1CCCCC1)C(=O)N1CCC(NC)CC1
InChIInChI=1S/C18H34N2O/c1-3-7-16(14-15-8-5-4-6-9-15)18(21)20-12-10-17(19-2)11-13-20/h15-17,19H,3-14H2,1-2H3
InChIKeyFFJHPOIWCXUZOE-UHFFFAOYSA-N
MW294.48 g/mol
LogP3.58
Rot. Bonds6

About 2-(cyclohexylmethyl)-1-[4-(methylamino)piperidin-1-yl]pentan-1-one

2-(cyclohexylmethyl)-1-[4-(methylamino)piperidin-1-yl]pentan-1-one (PubChem CID 119562388) has the molecular formula C18H34N2O and a molecular weight of 294.48 g/mol. Its IUPAC name is 2-(cyclohexylmethyl)-1-[4-(methylamino)piperidin-1-yl]pentan-1-one.

Molecular Properties

Compound Name2-(cyclohexylmethyl)-1-[4-(methylamino)piperidin-1-yl]pentan-1-one
PubChem CID119562388
Molecular FormulaC18H34N2O
Molecular Weight294.48 g/mol
Exact Mass294.27
IUPAC Name2-(cyclohexylmethyl)-1-[4-(methylamino)piperidin-1-yl]pentan-1-one
SMILESCCCC(CC1CCCCC1)C(=O)N1CCC(NC)CC1
InChIInChI=1S/C18H34N2O/c1-3-7-16(14-15-8-5-4-6-9-15)18(21)20-12-10-17(19-2)11-13-20/h15-17,19H,3-14H2,1-2H3
InChIKeyFFJHPOIWCXUZOE-UHFFFAOYSA-N
XLogP3.58
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.48
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3R)-3-aminopyrrolidin-1-yl]-2-(cyclopentylmethyl)pentan-1-one
CID 119410735
2-(cyclopentylmethyl)-1-[4-(methylaminomethyl)piperidin-1-yl]butan-1-one;hydrochloride
CID 119543004
1-[3-(1-aminoethyl)piperidin-1-yl]-2-(cyclopentylmethyl)pentan-1-one;hydrochloride
CID 119594215
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(cyclohexylmethyl)pentan-1-one;hydrochloride
CID 119663469
4-[2-(cyclopentylmethyl)pentanoyl]morpholine-2-carboxylic acid
CID 119239386
2-ethyl-1-[4-(methylamino)piperidin-1-yl]hexan-1-one
CID 60818218
(2R)-2-(cyclohexylmethyl)-1-(4-hydroxypiperidin-1-yl)butan-1-one
CID 95629673
2-(cyclopentylmethyl)-1-[4-(ethylaminomethyl)piperidin-1-yl]butan-1-one
CID 119644529
2-(cyclopentylmethyl)-1-(4-pyridazin-3-ylpiperazin-1-yl)pentan-1-one
CID 126769163
3-cyclohexyl-1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-methylpropan-1-one;hydrochloride
CID 119623980
2-(aminomethyl)-3-cyclooctyl-1-pyrrolidin-1-ylpropan-1-one
CID 114207905
2-(cyclohexylmethyl)-1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-methylbutan-1-one;hydrochloride
CID 119623970

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethyl)-1-[4-(methylamino)piperidin-1-yl]pentan-1-one?
The IUPAC name of 2-(cyclohexylmethyl)-1-[4-(methylamino)piperidin-1-yl]pentan-1-one (CID 119562388) is 2-(cyclohexylmethyl)-1-[4-(methylamino)piperidin-1-yl]pentan-1-one.
What is the SMILES notation for 2-(cyclohexylmethyl)-1-[4-(methylamino)piperidin-1-yl]pentan-1-one?
The canonical SMILES for 2-(cyclohexylmethyl)-1-[4-(methylamino)piperidin-1-yl]pentan-1-one is CCCC(CC1CCCCC1)C(=O)N1CCC(NC)CC1.
What is the InChIKey of 2-(cyclohexylmethyl)-1-[4-(methylamino)piperidin-1-yl]pentan-1-one?
The InChIKey is FFJHPOIWCXUZOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O/c1-3-7-16(14-15-8-5-4-6-9-15)18(21)20-12-10-17(19-2)11-13-20/h15-17,19H,3-14H2,1-2H3.
What are the key properties of 2-(cyclohexylmethyl)-1-[4-(methylamino)piperidin-1-yl]pentan-1-one?
2-(cyclohexylmethyl)-1-[4-(methylamino)piperidin-1-yl]pentan-1-one has a molecular weight of 294.48 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethyl)-1-[4-(methylamino)piperidin-1-yl]pentan-1-one is sourced from PubChem (CID 119562388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).