4-amino-2-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]cyclohexane-1-carboxamide

C17H33N3O — CID 62782327

IUPAC4-amino-2-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]cyclohexane-1-carboxamide
SMILESCC1CC(N)CCC1C(=O)NCCCN1CCCCC1C
InChIInChI=1S/C17H33N3O/c1-13-12-15(18)7-8-16(13)17(21)19-9-5-11-20-10-4-3-6-14(20)2/h13-16H,3-12,18H2,1-2H3,(H,19,21)
InChIKeyXUVYQUFDSTXGMW-UHFFFAOYSA-N
MW295.47 g/mol
LogP2.13
Rot. Bonds5

About 4-amino-2-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]cyclohexane-1-carboxamide

4-amino-2-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]cyclohexane-1-carboxamide (PubChem CID 62782327) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is 4-amino-2-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-2-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]cyclohexane-1-carboxamide
PubChem CID62782327
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC Name4-amino-2-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]cyclohexane-1-carboxamide
SMILESCC1CC(N)CCC1C(=O)NCCCN1CCCCC1C
InChIInChI=1S/C17H33N3O/c1-13-12-15(18)7-8-16(13)17(21)19-9-5-11-20-10-4-3-6-14(20)2/h13-16H,3-12,18H2,1-2H3,(H,19,21)
InChIKeyXUVYQUFDSTXGMW-UHFFFAOYSA-N
XLogP2.13
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-amino-2-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]cyclohexane-1-carboxamide
CID 62781994
N-[3-(2-methylpiperidin-1-yl)propyl]cyclopropanecarboxamide
CID 60668524
4-amino-2-methyl-N-(2-piperidin-1-ylethyl)cyclohexane-1-carboxamide
CID 62782757
4-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]piperidine-2-carboxamide
CID 114422620
2-amino-2-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]propanamide;dihydrochloride
CID 119834613
6-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]piperidine-2-carboxamide
CID 24710095
4-amino-N-[4-(dimethylamino)butyl]-2-methylcyclohexane-1-carboxamide
CID 62782762
(2S)-2-amino-3,3-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]butanamide
CID 61148247
(2R)-2-amino-4-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]pentanamide
CID 104902575
4-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]butanoic acid
CID 61183703
(2S)-2-amino-3,3-dimethyl-N-[3-(2-methylpiperidin-1-yl)propyl]butanamide;dihydrochloride
CID 119834632
(2R)-2-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]propanoic acid
CID 54991499

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-amino-2-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]cyclohexane-1-carboxamide (CID 62782327) is 4-amino-2-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-2-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-2-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]cyclohexane-1-carboxamide is CC1CC(N)CCC1C(=O)NCCCN1CCCCC1C.
What is the InChIKey of 4-amino-2-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]cyclohexane-1-carboxamide?
The InChIKey is XUVYQUFDSTXGMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O/c1-13-12-15(18)7-8-16(13)17(21)19-9-5-11-20-10-4-3-6-14(20)2/h13-16H,3-12,18H2,1-2H3,(H,19,21).
What are the key properties of 4-amino-2-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]cyclohexane-1-carboxamide?
4-amino-2-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]cyclohexane-1-carboxamide has a molecular weight of 295.47 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 62782327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).