4-(methylamino)-N-[(1-piperidin-1-ylcyclohexyl)methyl]butanamide

C17H33N3O — CID 61249197

IUPAC4-(methylamino)-N-[(1-piperidin-1-ylcyclohexyl)methyl]butanamide
SMILESCNCCCC(=O)NCC1(N2CCCCC2)CCCCC1
InChIInChI=1S/C17H33N3O/c1-18-12-8-9-16(21)19-15-17(10-4-2-5-11-17)20-13-6-3-7-14-20/h18H,2-15H2,1H3,(H,19,21)
InChIKeyCGVLWJNLPCATKB-UHFFFAOYSA-N
MW295.47 g/mol
LogP2.29
Rot. Bonds7

About 4-(methylamino)-N-[(1-piperidin-1-ylcyclohexyl)methyl]butanamide

4-(methylamino)-N-[(1-piperidin-1-ylcyclohexyl)methyl]butanamide (PubChem CID 61249197) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is 4-(methylamino)-N-[(1-piperidin-1-ylcyclohexyl)methyl]butanamide.

Molecular Properties

Compound Name4-(methylamino)-N-[(1-piperidin-1-ylcyclohexyl)methyl]butanamide
PubChem CID61249197
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC Name4-(methylamino)-N-[(1-piperidin-1-ylcyclohexyl)methyl]butanamide
SMILESCNCCCC(=O)NCC1(N2CCCCC2)CCCCC1
InChIInChI=1S/C17H33N3O/c1-18-12-8-9-16(21)19-15-17(10-4-2-5-11-17)20-13-6-3-7-14-20/h18H,2-15H2,1H3,(H,19,21)
InChIKeyCGVLWJNLPCATKB-UHFFFAOYSA-N
XLogP2.29
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 52.29
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

N-[(1-morpholin-4-ylcyclohexyl)methyl]octanamide
CID 134015029
N-(1,2,3,4,6,7,8,9-octahydroquinolizin-9a-ylmethyl)acetamide
CID 121011981
3-methyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]but-2-enamide
CID 102603401
2-(methylamino)-N-[(1-thiomorpholin-4-ylcyclohexyl)methyl]acetamide
CID 120704509
N-methyl-1-(1,2,3,5,6,7,8,9-octahydropyrrolo[1,2-a]azepin-9a-yl)methanamine
CID 121207930
4-(methylamino)-N-(2-piperidin-1-ylethyl)butanamide;dihydrochloride
CID 119836634
N-[(1-ethylcyclobutyl)methyl]-4-(methylamino)butanamide;hydrochloride
CID 119782138
2-chloro-N-[(1-piperidin-1-ylcyclohexyl)methyl]propanamide
CID 60716987
3-(4-methylphenyl)sulfonyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]propanamide
CID 17475695
2-(cyclopropylmethylamino)-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide;hydrochloride
CID 119682315
3-amino-2,2-dimethyl-N-[(1-piperidin-1-ylcyclohexyl)methyl]propanamide
CID 81485319
2-(4-acetylphenoxy)-N-[(1-piperidin-1-ylcyclohexyl)methyl]acetamide
CID 2579923

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-[(1-piperidin-1-ylcyclohexyl)methyl]butanamide?
The IUPAC name of 4-(methylamino)-N-[(1-piperidin-1-ylcyclohexyl)methyl]butanamide (CID 61249197) is 4-(methylamino)-N-[(1-piperidin-1-ylcyclohexyl)methyl]butanamide.
What is the SMILES notation for 4-(methylamino)-N-[(1-piperidin-1-ylcyclohexyl)methyl]butanamide?
The canonical SMILES for 4-(methylamino)-N-[(1-piperidin-1-ylcyclohexyl)methyl]butanamide is CNCCCC(=O)NCC1(N2CCCCC2)CCCCC1.
What is the InChIKey of 4-(methylamino)-N-[(1-piperidin-1-ylcyclohexyl)methyl]butanamide?
The InChIKey is CGVLWJNLPCATKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O/c1-18-12-8-9-16(21)19-15-17(10-4-2-5-11-17)20-13-6-3-7-14-20/h18H,2-15H2,1H3,(H,19,21).
What are the key properties of 4-(methylamino)-N-[(1-piperidin-1-ylcyclohexyl)methyl]butanamide?
4-(methylamino)-N-[(1-piperidin-1-ylcyclohexyl)methyl]butanamide has a molecular weight of 295.47 g/mol, XLogP of 2.29, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-[(1-piperidin-1-ylcyclohexyl)methyl]butanamide is sourced from PubChem (CID 61249197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).