(4-tert-butylcyclohexyl)-[3-(methylamino)piperidin-1-yl]methanone

C17H32N2O — CID 62718074

IUPAC(4-tert-butylcyclohexyl)-[3-(methylamino)piperidin-1-yl]methanone
SMILESCNC1CCCN(C(=O)C2CCC(C(C)(C)C)CC2)C1
InChIInChI=1S/C17H32N2O/c1-17(2,3)14-9-7-13(8-10-14)16(20)19-11-5-6-15(12-19)18-4/h13-15,18H,5-12H2,1-4H3
InChIKeyIEELMJLBMJFUPX-UHFFFAOYSA-N
MW280.46 g/mol
LogP3.05
Rot. Bonds2

About (4-tert-butylcyclohexyl)-[3-(methylamino)piperidin-1-yl]methanone

(4-tert-butylcyclohexyl)-[3-(methylamino)piperidin-1-yl]methanone (PubChem CID 62718074) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is (4-tert-butylcyclohexyl)-[3-(methylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-tert-butylcyclohexyl)-[3-(methylamino)piperidin-1-yl]methanone
PubChem CID62718074
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name(4-tert-butylcyclohexyl)-[3-(methylamino)piperidin-1-yl]methanone
SMILESCNC1CCCN(C(=O)C2CCC(C(C)(C)C)CC2)C1
InChIInChI=1S/C17H32N2O/c1-17(2,3)14-9-7-13(8-10-14)16(20)19-11-5-6-15(12-19)18-4/h13-15,18H,5-12H2,1-4H3
InChIKeyIEELMJLBMJFUPX-UHFFFAOYSA-N
XLogP3.05
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cyclopropyl-[(3S)-3-(methylamino)piperidin-1-yl]methanone
CID 94475773
cyclohexyl-[(3S)-3-(methylamino)piperidin-1-yl]methanone
CID 94475779
cyclooctyl-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119493060
[3-(methylamino)piperidin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone;hydrochloride
CID 119491186
[3-(methylamino)piperidin-1-yl]-(oxan-4-yl)methanone;hydrochloride
CID 119487408
N-tert-butyl-3-(methylamino)piperidine-1-carboxamide
CID 62536561
(3-aminopyrrolidin-1-yl)-(4-tert-butylcyclohexyl)methanone
CID 62717919
1-[(3S)-3-(methylamino)piperidin-1-yl]propan-1-one
CID 94475711
2-[1-(cyclopropanecarbonyl)piperidin-3-yl]-2-methylpropanoic acid
CID 83198260
1-[(3S)-3-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 172646124
(4-tert-butylcyclohexyl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 81486762
tert-butyl N-[(3R)-1-(cyclobutanecarbonyl)piperidin-3-yl]carbamate
CID 66925793

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylcyclohexyl)-[3-(methylamino)piperidin-1-yl]methanone?
The IUPAC name of (4-tert-butylcyclohexyl)-[3-(methylamino)piperidin-1-yl]methanone (CID 62718074) is (4-tert-butylcyclohexyl)-[3-(methylamino)piperidin-1-yl]methanone.
What is the SMILES notation for (4-tert-butylcyclohexyl)-[3-(methylamino)piperidin-1-yl]methanone?
The canonical SMILES for (4-tert-butylcyclohexyl)-[3-(methylamino)piperidin-1-yl]methanone is CNC1CCCN(C(=O)C2CCC(C(C)(C)C)CC2)C1.
What is the InChIKey of (4-tert-butylcyclohexyl)-[3-(methylamino)piperidin-1-yl]methanone?
The InChIKey is IEELMJLBMJFUPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-17(2,3)14-9-7-13(8-10-14)16(20)19-11-5-6-15(12-19)18-4/h13-15,18H,5-12H2,1-4H3.
What are the key properties of (4-tert-butylcyclohexyl)-[3-(methylamino)piperidin-1-yl]methanone?
(4-tert-butylcyclohexyl)-[3-(methylamino)piperidin-1-yl]methanone has a molecular weight of 280.46 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylcyclohexyl)-[3-(methylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 62718074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).