2-amino-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]butanamide

C17H27N3O — CID 61254395

IUPAC2-amino-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]butanamide
SMILESCCC(N)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C17H27N3O/c1-3-16(18)17(21)19(2)13-14-7-9-15(10-8-14)20-11-5-4-6-12-20/h7-10,16H,3-6,11-13,18H2,1-2H3
InChIKeyLQTPVDCOTBIFSM-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.37
Rot. Bonds5

About 2-amino-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]butanamide

2-amino-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]butanamide (PubChem CID 61254395) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-amino-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]butanamide.

Molecular Properties

Compound Name2-amino-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]butanamide
PubChem CID61254395
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name2-amino-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]butanamide
SMILESCCC(N)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C17H27N3O/c1-3-16(18)17(21)19(2)13-14-7-9-15(10-8-14)20-11-5-4-6-12-20/h7-10,16H,3-6,11-13,18H2,1-2H3
InChIKeyLQTPVDCOTBIFSM-UHFFFAOYSA-N
XLogP2.37
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 2-amino-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[methyl-[(4-piperidin-1-ylphenyl)methyl]amino]butanamide
CID 75436340
3-[methyl-[(4-piperidin-1-ylphenyl)methyl]amino]-3-oxopropanoic acid
CID 62231414
N-methyl-3-oxo-N-[(4-piperidin-1-ylphenyl)methyl]butanamide
CID 18072731
N-methyl-2-(methylamino)-N-[(4-piperidin-1-ylphenyl)methyl]acetamide
CID 61254195
(2S)-2-amino-N-[4-(azepan-1-yl)phenyl]butanamide
CID 79022944
2-[[ethylamino-[methyl-[(4-piperidin-1-ylphenyl)methyl]amino]methylidene]amino]-N,N-dimethylacetamide
CID 111414530
N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 134034927
N,5-dimethyl-N-[(4-piperidin-1-ylphenyl)methyl]pyrazine-2-carboxamide
CID 24551928
3-(dimethylamino)-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]benzamide
CID 24551926
N-methyl-2-(4-nitrophenyl)-N-[(4-piperidin-1-ylphenyl)methyl]acetamide
CID 34470185
N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]-2-(4-propanoylphenoxy)acetamide
CID 55416112
3,4,5-trimethoxy-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]benzamide
CID 24551923

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]butanamide?
The IUPAC name of 2-amino-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]butanamide (CID 61254395) is 2-amino-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]butanamide.
What is the SMILES notation for 2-amino-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]butanamide?
The canonical SMILES for 2-amino-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]butanamide is CCC(N)C(=O)N(C)Cc1ccc(N2CCCCC2)cc1.
What is the InChIKey of 2-amino-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]butanamide?
The InChIKey is LQTPVDCOTBIFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-3-16(18)17(21)19(2)13-14-7-9-15(10-8-14)20-11-5-4-6-12-20/h7-10,16H,3-6,11-13,18H2,1-2H3.
What are the key properties of 2-amino-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]butanamide?
2-amino-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]butanamide has a molecular weight of 289.42 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-N-[(4-piperidin-1-ylphenyl)methyl]butanamide is sourced from PubChem (CID 61254395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).