N-[3-(aminomethyl)phenyl]-2-(4-hydroxypiperidin-1-yl)propanamide

C15H23N3O2 — CID 16782680

IUPACN-[3-(aminomethyl)phenyl]-2-(4-hydroxypiperidin-1-yl)propanamide
SMILESCC(C(=O)Nc1cccc(CN)c1)N1CCC(O)CC1
InChIInChI=1S/C15H23N3O2/c1-11(18-7-5-14(19)6-8-18)15(20)17-13-4-2-3-12(9-13)10-16/h2-4,9,11,14,19H,5-8,10,16H2,1H3,(H,17,20)
InChIKeyDQAYHNZMSPXLQI-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.93
Rot. Bonds4

About N-[3-(aminomethyl)phenyl]-2-(4-hydroxypiperidin-1-yl)propanamide

N-[3-(aminomethyl)phenyl]-2-(4-hydroxypiperidin-1-yl)propanamide (PubChem CID 16782680) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-[3-(aminomethyl)phenyl]-2-(4-hydroxypiperidin-1-yl)propanamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)phenyl]-2-(4-hydroxypiperidin-1-yl)propanamide
PubChem CID16782680
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-[3-(aminomethyl)phenyl]-2-(4-hydroxypiperidin-1-yl)propanamide
SMILESCC(C(=O)Nc1cccc(CN)c1)N1CCC(O)CC1
InChIInChI=1S/C15H23N3O2/c1-11(18-7-5-14(19)6-8-18)15(20)17-13-4-2-3-12(9-13)10-16/h2-4,9,11,14,19H,5-8,10,16H2,1H3,(H,17,20)
InChIKeyDQAYHNZMSPXLQI-UHFFFAOYSA-N
XLogP0.93
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(aminomethyl)phenyl]-2-(3,4-dihydroxypyrrolidin-1-yl)propanamide
CID 106668137
N-[3-(aminomethyl)phenyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)propanamide
CID 43581196
N-[3-(aminomethyl)phenyl]-2-(4-hydroxy-4-methylpiperidin-1-yl)propanamide
CID 81095450
N-(3-aminophenyl)-2-(3-hydroxypyrrolidin-1-yl)propanamide
CID 62916842
N-[3-(aminomethyl)phenyl]-2-(4-hydroxypiperidin-1-yl)acetamide
CID 16786515
N-[3-(aminomethyl)phenyl]-2-methylpropanamide
CID 16773966
2-amino-N-[3-(aminomethyl)phenyl]propanamide
CID 62070130
N-[4-(aminomethyl)phenyl]-2-(4-methoxypiperidin-1-yl)propanamide
CID 43372637
N-(3-acetamidophenyl)-2-(4-methylpiperidin-1-yl)propanamide
CID 86918794
N-(3-acetylphenyl)-2-(4-benzylpiperidin-1-yl)propanamide
CID 84868889
2-[(3S)-3-hydroxypyrrolidin-1-yl]-N-phenylpropanamide
CID 78962370
N-[3-(aminomethyl)phenyl]-2-[cyclopropyl(propyl)amino]propanamide
CID 43270105

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)phenyl]-2-(4-hydroxypiperidin-1-yl)propanamide?
The IUPAC name of N-[3-(aminomethyl)phenyl]-2-(4-hydroxypiperidin-1-yl)propanamide (CID 16782680) is N-[3-(aminomethyl)phenyl]-2-(4-hydroxypiperidin-1-yl)propanamide.
What is the SMILES notation for N-[3-(aminomethyl)phenyl]-2-(4-hydroxypiperidin-1-yl)propanamide?
The canonical SMILES for N-[3-(aminomethyl)phenyl]-2-(4-hydroxypiperidin-1-yl)propanamide is CC(C(=O)Nc1cccc(CN)c1)N1CCC(O)CC1.
What is the InChIKey of N-[3-(aminomethyl)phenyl]-2-(4-hydroxypiperidin-1-yl)propanamide?
The InChIKey is DQAYHNZMSPXLQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-11(18-7-5-14(19)6-8-18)15(20)17-13-4-2-3-12(9-13)10-16/h2-4,9,11,14,19H,5-8,10,16H2,1H3,(H,17,20).
What are the key properties of N-[3-(aminomethyl)phenyl]-2-(4-hydroxypiperidin-1-yl)propanamide?
N-[3-(aminomethyl)phenyl]-2-(4-hydroxypiperidin-1-yl)propanamide has a molecular weight of 277.37 g/mol, XLogP of 0.93, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)phenyl]-2-(4-hydroxypiperidin-1-yl)propanamide is sourced from PubChem (CID 16782680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).