4-amino-N-methyl-N-(1-phenylpiperidin-3-yl)butanamide

C16H25N3O — CID 119889710

IUPAC4-amino-N-methyl-N-(1-phenylpiperidin-3-yl)butanamide
SMILESCN(C(=O)CCCN)C1CCCN(c2ccccc2)C1
InChIInChI=1S/C16H25N3O/c1-18(16(20)10-5-11-17)15-9-6-12-19(13-15)14-7-3-2-4-8-14/h2-4,7-8,15H,5-6,9-13,17H2,1H3
InChIKeyRPAMHQKFPVQMFW-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.85
Rot. Bonds5

About 4-amino-N-methyl-N-(1-phenylpiperidin-3-yl)butanamide

4-amino-N-methyl-N-(1-phenylpiperidin-3-yl)butanamide (PubChem CID 119889710) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 4-amino-N-methyl-N-(1-phenylpiperidin-3-yl)butanamide.

Molecular Properties

Compound Name4-amino-N-methyl-N-(1-phenylpiperidin-3-yl)butanamide
PubChem CID119889710
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name4-amino-N-methyl-N-(1-phenylpiperidin-3-yl)butanamide
SMILESCN(C(=O)CCCN)C1CCCN(c2ccccc2)C1
InChIInChI=1S/C16H25N3O/c1-18(16(20)10-5-11-17)15-9-6-12-19(13-15)14-7-3-2-4-8-14/h2-4,7-8,15H,5-6,9-13,17H2,1H3
InChIKeyRPAMHQKFPVQMFW-UHFFFAOYSA-N
XLogP1.85
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-N-(1-phenylpiperidin-3-yl)butanamide?
The IUPAC name of 4-amino-N-methyl-N-(1-phenylpiperidin-3-yl)butanamide (CID 119889710) is 4-amino-N-methyl-N-(1-phenylpiperidin-3-yl)butanamide.
What is the SMILES notation for 4-amino-N-methyl-N-(1-phenylpiperidin-3-yl)butanamide?
The canonical SMILES for 4-amino-N-methyl-N-(1-phenylpiperidin-3-yl)butanamide is CN(C(=O)CCCN)C1CCCN(c2ccccc2)C1.
What is the InChIKey of 4-amino-N-methyl-N-(1-phenylpiperidin-3-yl)butanamide?
The InChIKey is RPAMHQKFPVQMFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-18(16(20)10-5-11-17)15-9-6-12-19(13-15)14-7-3-2-4-8-14/h2-4,7-8,15H,5-6,9-13,17H2,1H3.
What are the key properties of 4-amino-N-methyl-N-(1-phenylpiperidin-3-yl)butanamide?
4-amino-N-methyl-N-(1-phenylpiperidin-3-yl)butanamide has a molecular weight of 275.40 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-N-(1-phenylpiperidin-3-yl)butanamide is sourced from PubChem (CID 119889710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).