2-(3-aminophenyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]propanamide

C17H27N3O — CID 107162879

IUPAC2-(3-aminophenyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]propanamide
SMILESCC(C(=O)NCC1(C)CCN(C)CC1)c1cccc(N)c1
InChIInChI=1S/C17H27N3O/c1-13(14-5-4-6-15(18)11-14)16(21)19-12-17(2)7-9-20(3)10-8-17/h4-6,11,13H,7-10,12,18H2,1-3H3,(H,19,21)
InChIKeyWLLJVJCLQDNWPN-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.22
Rot. Bonds4

About 2-(3-aminophenyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]propanamide

2-(3-aminophenyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]propanamide (PubChem CID 107162879) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-(3-aminophenyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]propanamide.

Molecular Properties

Compound Name2-(3-aminophenyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]propanamide
PubChem CID107162879
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name2-(3-aminophenyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]propanamide
SMILESCC(C(=O)NCC1(C)CCN(C)CC1)c1cccc(N)c1
InChIInChI=1S/C17H27N3O/c1-13(14-5-4-6-15(18)11-14)16(21)19-12-17(2)7-9-20(3)10-8-17/h4-6,11,13H,7-10,12,18H2,1-3H3,(H,19,21)
InChIKeyWLLJVJCLQDNWPN-UHFFFAOYSA-N
XLogP2.22
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-aminophenyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]acetamide
CID 107162880
2-(3-aminophenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]propanamide
CID 106590972
2-(3-aminophenyl)-N-(1-methylpiperidin-4-yl)propanamide
CID 106590880
2,4-diamino-N-[(1,4-dimethylpiperidin-4-yl)methyl]benzamide
CID 107162906
2-(3-aminophenyl)-N-(3-methyl-2-propan-2-ylbutyl)propanamide
CID 106591920
2-(3-aminophenyl)-N-(3,3-dimethylbutyl)propanamide
CID 106591847
2-(3-aminophenyl)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)propanamide
CID 106591406
2-chloro-N-[(1,4-dimethylpiperidin-4-yl)methyl]propanamide
CID 107163376
2-(3-aminophenyl)-N-(2-phenylpropyl)propanamide
CID 106591039
2-(3-aminophenyl)-N-(4-methylpentyl)propanamide
CID 106591173
2-(3-aminophenyl)-N-(2-cyclopropylpropyl)propanamide
CID 106591805
5-amino-N-[(1,4-dimethylpiperidin-4-yl)methyl]-2-fluorobenzamide
CID 107162875

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]propanamide?
The IUPAC name of 2-(3-aminophenyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]propanamide (CID 107162879) is 2-(3-aminophenyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]propanamide.
What is the SMILES notation for 2-(3-aminophenyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]propanamide?
The canonical SMILES for 2-(3-aminophenyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]propanamide is CC(C(=O)NCC1(C)CCN(C)CC1)c1cccc(N)c1.
What is the InChIKey of 2-(3-aminophenyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]propanamide?
The InChIKey is WLLJVJCLQDNWPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-13(14-5-4-6-15(18)11-14)16(21)19-12-17(2)7-9-20(3)10-8-17/h4-6,11,13H,7-10,12,18H2,1-3H3,(H,19,21).
What are the key properties of 2-(3-aminophenyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]propanamide?
2-(3-aminophenyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]propanamide has a molecular weight of 289.42 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-N-[(1,4-dimethylpiperidin-4-yl)methyl]propanamide is sourced from PubChem (CID 107162879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).