(3-aminocyclohexyl)-[3-(2-methylpropyl)piperidin-1-yl]methanone

C16H30N2O — CID 119807817

IUPAC(3-aminocyclohexyl)-[3-(2-methylpropyl)piperidin-1-yl]methanone
SMILESCC(C)CC1CCCN(C(=O)C2CCCC(N)C2)C1
InChIInChI=1S/C16H30N2O/c1-12(2)9-13-5-4-8-18(11-13)16(19)14-6-3-7-15(17)10-14/h12-15H,3-11,17H2,1-2H3
InChIKeySXSDXLUGAXNUSS-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.79
Rot. Bonds3

About (3-aminocyclohexyl)-[3-(2-methylpropyl)piperidin-1-yl]methanone

(3-aminocyclohexyl)-[3-(2-methylpropyl)piperidin-1-yl]methanone (PubChem CID 119807817) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is (3-aminocyclohexyl)-[3-(2-methylpropyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-aminocyclohexyl)-[3-(2-methylpropyl)piperidin-1-yl]methanone
PubChem CID119807817
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name(3-aminocyclohexyl)-[3-(2-methylpropyl)piperidin-1-yl]methanone
SMILESCC(C)CC1CCCN(C(=O)C2CCCC(N)C2)C1
InChIInChI=1S/C16H30N2O/c1-12(2)9-13-5-4-8-18(11-13)16(19)14-6-3-7-15(17)10-14/h12-15H,3-11,17H2,1-2H3
InChIKeySXSDXLUGAXNUSS-UHFFFAOYSA-N
XLogP2.79
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-aminocyclopentyl)-[3-(2-methylpropyl)pyrrolidin-1-yl]methanone
CID 119781901
N-[[1-(3-aminocyclohexanecarbonyl)piperidin-3-yl]methyl]-2-methylpropanamide
CID 119761565
[(2S,4S)-2-methylpiperidin-4-yl]-[3-(2-methylpropyl)piperidin-1-yl]methanone
CID 120636725
(3-aminocyclohexyl)-[3-(azepan-1-ylmethyl)piperidin-1-yl]methanone;dihydrochloride
CID 119875727
3-[1-(3-aminocyclohexanecarbonyl)piperidin-3-yl]propanamide
CID 119758308
(9-amino-3-bicyclo[3.3.1]nonanyl)-[3-(2-methylpropyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 120991436
(3-aminocyclohexyl)-(azepan-1-yl)methanone
CID 62777003
(3-aminocyclohexyl)-(3-propoxypiperidin-1-yl)methanone
CID 55135879
(3-aminocyclopentyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 103810664
(3-aminocyclohexyl)-(4-methylazepan-1-yl)methanone;hydrochloride
CID 119756366
(3-aminocyclohexyl)-(azepan-1-yl)methanone;hydrochloride
CID 119669540
N-[1-(3-aminocyclohexanecarbonyl)piperidin-3-yl]acetamide;hydrochloride
CID 119722344

Frequently Asked Questions

What is the IUPAC name of (3-aminocyclohexyl)-[3-(2-methylpropyl)piperidin-1-yl]methanone?
The IUPAC name of (3-aminocyclohexyl)-[3-(2-methylpropyl)piperidin-1-yl]methanone (CID 119807817) is (3-aminocyclohexyl)-[3-(2-methylpropyl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-aminocyclohexyl)-[3-(2-methylpropyl)piperidin-1-yl]methanone?
The canonical SMILES for (3-aminocyclohexyl)-[3-(2-methylpropyl)piperidin-1-yl]methanone is CC(C)CC1CCCN(C(=O)C2CCCC(N)C2)C1.
What is the InChIKey of (3-aminocyclohexyl)-[3-(2-methylpropyl)piperidin-1-yl]methanone?
The InChIKey is SXSDXLUGAXNUSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-12(2)9-13-5-4-8-18(11-13)16(19)14-6-3-7-15(17)10-14/h12-15H,3-11,17H2,1-2H3.
What are the key properties of (3-aminocyclohexyl)-[3-(2-methylpropyl)piperidin-1-yl]methanone?
(3-aminocyclohexyl)-[3-(2-methylpropyl)piperidin-1-yl]methanone has a molecular weight of 266.43 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminocyclohexyl)-[3-(2-methylpropyl)piperidin-1-yl]methanone is sourced from PubChem (CID 119807817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).