5-amino-N-[(1-ethylpiperidin-4-yl)methyl]-2,4-dimethylcyclohexane-1-carboxamide

C17H33N3O — CID 102706681

IUPAC5-amino-N-[(1-ethylpiperidin-4-yl)methyl]-2,4-dimethylcyclohexane-1-carboxamide
SMILESCCN1CCC(CNC(=O)C2CC(N)C(C)CC2C)CC1
InChIInChI=1S/C17H33N3O/c1-4-20-7-5-14(6-8-20)11-19-17(21)15-10-16(18)13(3)9-12(15)2/h12-16H,4-11,18H2,1-3H3,(H,19,21)
InChIKeyJFIIXNIUKSABCD-UHFFFAOYSA-N
MW295.47 g/mol
LogP1.84
Rot. Bonds4

About 5-amino-N-[(1-ethylpiperidin-4-yl)methyl]-2,4-dimethylcyclohexane-1-carboxamide

5-amino-N-[(1-ethylpiperidin-4-yl)methyl]-2,4-dimethylcyclohexane-1-carboxamide (PubChem CID 102706681) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is 5-amino-N-[(1-ethylpiperidin-4-yl)methyl]-2,4-dimethylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name5-amino-N-[(1-ethylpiperidin-4-yl)methyl]-2,4-dimethylcyclohexane-1-carboxamide
PubChem CID102706681
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC Name5-amino-N-[(1-ethylpiperidin-4-yl)methyl]-2,4-dimethylcyclohexane-1-carboxamide
SMILESCCN1CCC(CNC(=O)C2CC(N)C(C)CC2C)CC1
InChIInChI=1S/C17H33N3O/c1-4-20-7-5-14(6-8-20)11-19-17(21)15-10-16(18)13(3)9-12(15)2/h12-16H,4-11,18H2,1-3H3,(H,19,21)
InChIKeyJFIIXNIUKSABCD-UHFFFAOYSA-N
XLogP1.84
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[(1-ethylpiperidin-4-yl)methyl]cyclopentane-1-carboxamide
CID 66008591
2-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]cyclopentane-1-carboxamide
CID 64824736
N-[(1-ethylpiperidin-4-yl)methyl]acetamide
CID 60968762
2-amino-N-[(1-methylpyrrolidin-3-yl)methyl]cyclopropane-1-carboxamide
CID 114995517
2-[(1-ethylpyrrolidin-3-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 60862754
4-(ethylamino)-N-[(1-ethylpiperidin-4-yl)methyl]oxolane-3-carboxamide
CID 66257352
5-amino-N-[2-(dimethylamino)ethyl]-2,4-dimethylcyclohexane-1-carboxamide
CID 102706457
2-hydroxyethyl N-[(1-ethylpiperidin-4-yl)methyl]carbamate
CID 79348727
5-amino-N-(2,3-dimethylbutyl)-2,4-dimethylcyclohexane-1-carboxamide
CID 102706782
(2R)-N-[(1-ethylpiperidin-4-yl)methyl]pyrrolidine-2-carboxamide
CID 103814111
5-amino-N-(2-cyclohexyloxyethyl)-2,4-dimethylcyclohexane-1-carboxamide
CID 102706761
N-[(1-ethylpiperidin-4-yl)methyl]-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]benzamide
CID 94184057

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(1-ethylpiperidin-4-yl)methyl]-2,4-dimethylcyclohexane-1-carboxamide?
The IUPAC name of 5-amino-N-[(1-ethylpiperidin-4-yl)methyl]-2,4-dimethylcyclohexane-1-carboxamide (CID 102706681) is 5-amino-N-[(1-ethylpiperidin-4-yl)methyl]-2,4-dimethylcyclohexane-1-carboxamide.
What is the SMILES notation for 5-amino-N-[(1-ethylpiperidin-4-yl)methyl]-2,4-dimethylcyclohexane-1-carboxamide?
The canonical SMILES for 5-amino-N-[(1-ethylpiperidin-4-yl)methyl]-2,4-dimethylcyclohexane-1-carboxamide is CCN1CCC(CNC(=O)C2CC(N)C(C)CC2C)CC1.
What is the InChIKey of 5-amino-N-[(1-ethylpiperidin-4-yl)methyl]-2,4-dimethylcyclohexane-1-carboxamide?
The InChIKey is JFIIXNIUKSABCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O/c1-4-20-7-5-14(6-8-20)11-19-17(21)15-10-16(18)13(3)9-12(15)2/h12-16H,4-11,18H2,1-3H3,(H,19,21).
What are the key properties of 5-amino-N-[(1-ethylpiperidin-4-yl)methyl]-2,4-dimethylcyclohexane-1-carboxamide?
5-amino-N-[(1-ethylpiperidin-4-yl)methyl]-2,4-dimethylcyclohexane-1-carboxamide has a molecular weight of 295.47 g/mol, XLogP of 1.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(1-ethylpiperidin-4-yl)methyl]-2,4-dimethylcyclohexane-1-carboxamide is sourced from PubChem (CID 102706681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).