4-(methylamino)-N-(1-phenylpiperidin-3-yl)butanamide

C16H25N3O — CID 119888744

IUPAC4-(methylamino)-N-(1-phenylpiperidin-3-yl)butanamide
SMILESCNCCCC(=O)NC1CCCN(c2ccccc2)C1
InChIInChI=1S/C16H25N3O/c1-17-11-5-10-16(20)18-14-7-6-12-19(13-14)15-8-3-2-4-9-15/h2-4,8-9,14,17H,5-7,10-13H2,1H3,(H,18,20)
InChIKeyHGUSIGSXWPOMKH-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.77
Rot. Bonds6

About 4-(methylamino)-N-(1-phenylpiperidin-3-yl)butanamide

4-(methylamino)-N-(1-phenylpiperidin-3-yl)butanamide (PubChem CID 119888744) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 4-(methylamino)-N-(1-phenylpiperidin-3-yl)butanamide.

Molecular Properties

Compound Name4-(methylamino)-N-(1-phenylpiperidin-3-yl)butanamide
PubChem CID119888744
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name4-(methylamino)-N-(1-phenylpiperidin-3-yl)butanamide
SMILESCNCCCC(=O)NC1CCCN(c2ccccc2)C1
InChIInChI=1S/C16H25N3O/c1-17-11-5-10-16(20)18-14-7-6-12-19(13-14)15-8-3-2-4-9-15/h2-4,8-9,14,17H,5-7,10-13H2,1H3,(H,18,20)
InChIKeyHGUSIGSXWPOMKH-UHFFFAOYSA-N
XLogP1.77
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.77
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

4-(methylamino)-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]butanamide
CID 119889292
4-(methylamino)-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]butanamide;dihydrochloride
CID 119889291
N-[1-(4-bromophenyl)pyrrolidin-3-yl]-4-(methylamino)butanamide
CID 119876236
N-(1-phenylpyrrolidin-3-yl)pentanamide
CID 110479420
5-oxo-5-[(1-phenylpyrrolidin-3-yl)amino]pentanoic acid
CID 110482682
[(3R)-1-phenylpiperidin-3-yl]carbamic acid
CID 89499357
3-amino-N-(1-phenylpiperidin-3-yl)butanamide
CID 119888787
N-[1-(2-bromophenyl)pyrrolidin-3-yl]-4-(methylamino)butanamide;dihydrochloride
CID 119884373
N-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-4-(methylamino)butanamide;dihydrochloride
CID 119899338
7-amino-N-(1-phenylpyrrolidin-3-yl)heptanamide
CID 119861676
2-[methyl(propan-2-yl)amino]-N-(1-phenylpiperidin-3-yl)acetamide
CID 136526077
(1-phenylpiperidin-3-yl)urea
CID 121416777

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-(1-phenylpiperidin-3-yl)butanamide?
The IUPAC name of 4-(methylamino)-N-(1-phenylpiperidin-3-yl)butanamide (CID 119888744) is 4-(methylamino)-N-(1-phenylpiperidin-3-yl)butanamide.
What is the SMILES notation for 4-(methylamino)-N-(1-phenylpiperidin-3-yl)butanamide?
The canonical SMILES for 4-(methylamino)-N-(1-phenylpiperidin-3-yl)butanamide is CNCCCC(=O)NC1CCCN(c2ccccc2)C1.
What is the InChIKey of 4-(methylamino)-N-(1-phenylpiperidin-3-yl)butanamide?
The InChIKey is HGUSIGSXWPOMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-17-11-5-10-16(20)18-14-7-6-12-19(13-14)15-8-3-2-4-9-15/h2-4,8-9,14,17H,5-7,10-13H2,1H3,(H,18,20).
What are the key properties of 4-(methylamino)-N-(1-phenylpiperidin-3-yl)butanamide?
4-(methylamino)-N-(1-phenylpiperidin-3-yl)butanamide has a molecular weight of 275.40 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-(1-phenylpiperidin-3-yl)butanamide is sourced from PubChem (CID 119888744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).