N-[4-(aminomethyl)phenyl]-3-(3,5-dimethylpiperidin-1-yl)propanamide

C17H27N3O — CID 16784105

IUPACN-[4-(aminomethyl)phenyl]-3-(3,5-dimethylpiperidin-1-yl)propanamide
SMILESCC1CC(C)CN(CCC(=O)Nc2ccc(CN)cc2)C1
InChIInChI=1S/C17H27N3O/c1-13-9-14(2)12-20(11-13)8-7-17(21)19-16-5-3-15(10-18)4-6-16/h3-6,13-14H,7-12,18H2,1-2H3,(H,19,21)
InChIKeyCFOPUBWCCUUCPY-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.45
Rot. Bonds5

About N-[4-(aminomethyl)phenyl]-3-(3,5-dimethylpiperidin-1-yl)propanamide

N-[4-(aminomethyl)phenyl]-3-(3,5-dimethylpiperidin-1-yl)propanamide (PubChem CID 16784105) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-[4-(aminomethyl)phenyl]-3-(3,5-dimethylpiperidin-1-yl)propanamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)phenyl]-3-(3,5-dimethylpiperidin-1-yl)propanamide
PubChem CID16784105
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-[4-(aminomethyl)phenyl]-3-(3,5-dimethylpiperidin-1-yl)propanamide
SMILESCC1CC(C)CN(CCC(=O)Nc2ccc(CN)cc2)C1
InChIInChI=1S/C17H27N3O/c1-13-9-14(2)12-20(11-13)8-7-17(21)19-16-5-3-15(10-18)4-6-16/h3-6,13-14H,7-12,18H2,1-2H3,(H,19,21)
InChIKeyCFOPUBWCCUUCPY-UHFFFAOYSA-N
XLogP2.45
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(aminomethyl)phenyl]-3-(3,4-dimethylpyrrolidin-1-yl)propanamide
CID 79188013
3-(3,5-dimethylpiperidin-1-yl)-N-(4-methylphenyl)propanamide
CID 2901547
3-(3,5-dimethylpiperidin-1-yl)-N-phenylpropanamide;hydrochloride
CID 126467812
N-(3,5-dimethylphenyl)-3-[(3R,5S)-3,5-dimethylpiperidin-1-yl]propanamide
CID 771548
N-(2,3-dihydro-1H-inden-5-yl)-3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propanamide
CID 771735
N-(2,3-dihydro-1H-inden-5-yl)-3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propanamide
CID 771738
N-[4-(aminomethyl)phenyl]-3-morpholin-4-ylpropanamide
CID 16779088
N-[4-(aminomethyl)phenyl]-2-(3-methylpiperidin-1-yl)acetamide
CID 16779543
N-[4-(aminomethyl)phenyl]-3-(2-methylpyrrolidin-1-yl)propanamide
CID 54882030
N-(3-cyanophenyl)-3-(3,5-dimethylpiperidin-1-yl)propanamide
CID 43187524
N-(4-aminophenyl)-3-(3-methylpyrrolidin-1-yl)propanamide
CID 61221645
N-[4-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]acetamide
CID 26458271

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)phenyl]-3-(3,5-dimethylpiperidin-1-yl)propanamide?
The IUPAC name of N-[4-(aminomethyl)phenyl]-3-(3,5-dimethylpiperidin-1-yl)propanamide (CID 16784105) is N-[4-(aminomethyl)phenyl]-3-(3,5-dimethylpiperidin-1-yl)propanamide.
What is the SMILES notation for N-[4-(aminomethyl)phenyl]-3-(3,5-dimethylpiperidin-1-yl)propanamide?
The canonical SMILES for N-[4-(aminomethyl)phenyl]-3-(3,5-dimethylpiperidin-1-yl)propanamide is CC1CC(C)CN(CCC(=O)Nc2ccc(CN)cc2)C1.
What is the InChIKey of N-[4-(aminomethyl)phenyl]-3-(3,5-dimethylpiperidin-1-yl)propanamide?
The InChIKey is CFOPUBWCCUUCPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-13-9-14(2)12-20(11-13)8-7-17(21)19-16-5-3-15(10-18)4-6-16/h3-6,13-14H,7-12,18H2,1-2H3,(H,19,21).
What are the key properties of N-[4-(aminomethyl)phenyl]-3-(3,5-dimethylpiperidin-1-yl)propanamide?
N-[4-(aminomethyl)phenyl]-3-(3,5-dimethylpiperidin-1-yl)propanamide has a molecular weight of 289.42 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)phenyl]-3-(3,5-dimethylpiperidin-1-yl)propanamide is sourced from PubChem (CID 16784105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).