3-(3-aminophenyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide

C17H27N3O — CID 63234884

IUPAC3-(3-aminophenyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide
SMILESCN1CCC(CN(C)C(=O)CCc2cccc(N)c2)CC1
InChIInChI=1S/C17H27N3O/c1-19-10-8-15(9-11-19)13-20(2)17(21)7-6-14-4-3-5-16(18)12-14/h3-5,12,15H,6-11,13,18H2,1-2H3
InChIKeyUTBNZZRPBMMEPF-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.00
Rot. Bonds5

About 3-(3-aminophenyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide

3-(3-aminophenyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide (PubChem CID 63234884) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 3-(3-aminophenyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(3-aminophenyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide
PubChem CID63234884
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name3-(3-aminophenyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide
SMILESCN1CCC(CN(C)C(=O)CCc2cccc(N)c2)CC1
InChIInChI=1S/C17H27N3O/c1-19-10-8-15(9-11-19)13-20(2)17(21)7-6-14-4-3-5-16(18)12-14/h3-5,12,15H,6-11,13,18H2,1-2H3
InChIKeyUTBNZZRPBMMEPF-UHFFFAOYSA-N
XLogP2.00
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 ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]ethyl]aniline
CID 65347613
3-[3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]propyl]aniline
CID 115342113
3-[2-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]ethyl]aniline
CID 65347709
3-(3-aminophenyl)-N-methyl-N-(oxan-2-ylmethyl)propanamide
CID 61436237
3-[3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propyl]aniline
CID 115342117
3-[3-(3-aminophenyl)propanoyl-methylamino]propanoic acid
CID 115341393
3-(4-aminocyclohexyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide
CID 63235356
4-[3-[cyclopropylmethyl(methyl)amino]-3-oxopropyl]benzoic acid
CID 119181808
N-methyl-3-(1-methylpyrazol-4-yl)-N-[[1-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidin-4-yl]methyl]propanamide
CID 42342350
3-(3-aminophenyl)-N-methyl-N-[(3-methylphenyl)methyl]propanamide
CID 61411542
3-(2-aminophenyl)-N-(cyclopropylmethyl)-N-methylpropanamide
CID 54883935
3-(3-aminophenyl)-N-methyl-N-(2-methylbutyl)propanamide
CID 43308993

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminophenyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide?
The IUPAC name of 3-(3-aminophenyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide (CID 63234884) is 3-(3-aminophenyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide.
What is the SMILES notation for 3-(3-aminophenyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide?
The canonical SMILES for 3-(3-aminophenyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide is CN1CCC(CN(C)C(=O)CCc2cccc(N)c2)CC1.
What is the InChIKey of 3-(3-aminophenyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide?
The InChIKey is UTBNZZRPBMMEPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-19-10-8-15(9-11-19)13-20(2)17(21)7-6-14-4-3-5-16(18)12-14/h3-5,12,15H,6-11,13,18H2,1-2H3.
What are the key properties of 3-(3-aminophenyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide?
3-(3-aminophenyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide has a molecular weight of 289.42 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminophenyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]propanamide is sourced from PubChem (CID 63234884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).