5-amino-2-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]cyclohexane-1-carboxamide

C16H31N3O — CID 114516722

IUPAC5-amino-2-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]cyclohexane-1-carboxamide
SMILESCC1CCC(N)CC1C(=O)NCCC1CCN(C)CC1
InChIInChI=1S/C16H31N3O/c1-12-3-4-14(17)11-15(12)16(20)18-8-5-13-6-9-19(2)10-7-13/h12-15H,3-11,17H2,1-2H3,(H,18,20)
InChIKeyIMSCZLSMZKXQJY-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.60
Rot. Bonds4

About 5-amino-2-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]cyclohexane-1-carboxamide

5-amino-2-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]cyclohexane-1-carboxamide (PubChem CID 114516722) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 5-amino-2-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name5-amino-2-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]cyclohexane-1-carboxamide
PubChem CID114516722
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name5-amino-2-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]cyclohexane-1-carboxamide
SMILESCC1CCC(N)CC1C(=O)NCCC1CCN(C)CC1
InChIInChI=1S/C16H31N3O/c1-12-3-4-14(17)11-15(12)16(20)18-8-5-13-6-9-19(2)10-7-13/h12-15H,3-11,17H2,1-2H3,(H,18,20)
InChIKeyIMSCZLSMZKXQJY-UHFFFAOYSA-N
XLogP1.60
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-N-[3-(dimethylamino)propyl]-2-methylcyclohexane-1-carboxamide
CID 62781307
4-(aminomethyl)-N-[2-(1-methylpiperidin-4-yl)ethyl]cyclohexane-1-carboxamide
CID 104963837
5-amino-N,2-dimethyl-N-(1-methylpiperidin-4-yl)cyclohexane-1-carboxamide
CID 62781149
ethane;N-[2-(1-methylpiperidin-4-yl)ethyl]acetamide
CID 145305078
ethyl 2-[2-(1-methylpiperidin-4-yl)ethylamino]-2-oxoacetate
CID 114516531
4-amino-2-methyl-N-(2-piperidin-1-ylethyl)cyclohexane-1-carboxamide
CID 62782757
(2S)-2-amino-3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide
CID 103814143
3-amino-3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide
CID 115740928
2-amino-3-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide;dihydrochloride
CID 119865894
1,1-diethyl-3-[2-(1-methylpiperidin-4-yl)ethyl]urea
CID 113231664
3-(methylamino)-N-[2-(1-methylpiperidin-4-yl)ethyl]propanamide
CID 114515725
2-amino-N-[(1-methylpyrrolidin-3-yl)methyl]cyclopropane-1-carboxamide
CID 114995517

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 5-amino-2-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]cyclohexane-1-carboxamide (CID 114516722) is 5-amino-2-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 5-amino-2-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 5-amino-2-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]cyclohexane-1-carboxamide is CC1CCC(N)CC1C(=O)NCCC1CCN(C)CC1.
What is the InChIKey of 5-amino-2-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]cyclohexane-1-carboxamide?
The InChIKey is IMSCZLSMZKXQJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-12-3-4-14(17)11-15(12)16(20)18-8-5-13-6-9-19(2)10-7-13/h12-15H,3-11,17H2,1-2H3,(H,18,20).
What are the key properties of 5-amino-2-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]cyclohexane-1-carboxamide?
5-amino-2-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]cyclohexane-1-carboxamide has a molecular weight of 281.44 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 114516722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).