N-[3-(aminomethyl)phenyl]-3-methoxy-4-methylpiperidine-1-carboxamide

C15H23N3O2 — CID 102961731

IUPACN-[3-(aminomethyl)phenyl]-3-methoxy-4-methylpiperidine-1-carboxamide
SMILESCOC1CN(C(=O)Nc2cccc(CN)c2)CCC1C
InChIInChI=1S/C15H23N3O2/c1-11-6-7-18(10-14(11)20-2)15(19)17-13-5-3-4-12(8-13)9-16/h3-5,8,11,14H,6-7,9-10,16H2,1-2H3,(H,17,19)
InChIKeyWQELNPSGWNSXNU-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.03
Rot. Bonds3

About N-[3-(aminomethyl)phenyl]-3-methoxy-4-methylpiperidine-1-carboxamide

N-[3-(aminomethyl)phenyl]-3-methoxy-4-methylpiperidine-1-carboxamide (PubChem CID 102961731) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-[3-(aminomethyl)phenyl]-3-methoxy-4-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)phenyl]-3-methoxy-4-methylpiperidine-1-carboxamide
PubChem CID102961731
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-[3-(aminomethyl)phenyl]-3-methoxy-4-methylpiperidine-1-carboxamide
SMILESCOC1CN(C(=O)Nc2cccc(CN)c2)CCC1C
InChIInChI=1S/C15H23N3O2/c1-11-6-7-18(10-14(11)20-2)15(19)17-13-5-3-4-12(8-13)9-16/h3-5,8,11,14H,6-7,9-10,16H2,1-2H3,(H,17,19)
InChIKeyWQELNPSGWNSXNU-UHFFFAOYSA-N
XLogP2.03
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(aminomethyl)phenyl]-4-ethylpiperidine-1-carboxamide
CID 61421947
N-[3-(aminomethyl)phenyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 106836739
N-[3-(aminomethyl)phenyl]-4-methylpiperazine-1-carboxamide
CID 43133032
N-[3-(aminomethyl)phenyl]-2-(3,4-dimethoxypyrrolidin-1-yl)acetamide
CID 103531213
(1R,5R)-N-[3-(aminomethyl)phenyl]-3-azabicyclo[3.3.1]nonane-3-carboxamide
CID 74243413
2-[3-[(4-methylpiperidine-1-carbonyl)amino]phenyl]acetic acid
CID 65345847
N-[3-(aminomethyl)phenyl]-4-hydroxy-4-methylpiperidine-1-carboxamide
CID 81116359
3-hydroxy-N-(3-methoxyphenyl)-4-methylpiperidine-1-carboxamide
CID 103896298
3-hydroxy-N-[3-(methoxymethyl)phenyl]piperidine-1-carboxamide
CID 51080395
(3R)-3-hydroxy-N-[3-(3-phenylpropyl)phenyl]pyrrolidine-1-carboxamide
CID 111431591
4-[3-(aminomethyl)phenyl]-N-phenylpiperidine-1-carboxamide
CID 141045958
(3S,4S)-3-methoxy-4-methyl-N-(2-prop-2-ynoxyphenyl)piperidine-1-carboxamide
CID 129433516

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)phenyl]-3-methoxy-4-methylpiperidine-1-carboxamide?
The IUPAC name of N-[3-(aminomethyl)phenyl]-3-methoxy-4-methylpiperidine-1-carboxamide (CID 102961731) is N-[3-(aminomethyl)phenyl]-3-methoxy-4-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-[3-(aminomethyl)phenyl]-3-methoxy-4-methylpiperidine-1-carboxamide?
The canonical SMILES for N-[3-(aminomethyl)phenyl]-3-methoxy-4-methylpiperidine-1-carboxamide is COC1CN(C(=O)Nc2cccc(CN)c2)CCC1C.
What is the InChIKey of N-[3-(aminomethyl)phenyl]-3-methoxy-4-methylpiperidine-1-carboxamide?
The InChIKey is WQELNPSGWNSXNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-11-6-7-18(10-14(11)20-2)15(19)17-13-5-3-4-12(8-13)9-16/h3-5,8,11,14H,6-7,9-10,16H2,1-2H3,(H,17,19).
What are the key properties of N-[3-(aminomethyl)phenyl]-3-methoxy-4-methylpiperidine-1-carboxamide?
N-[3-(aminomethyl)phenyl]-3-methoxy-4-methylpiperidine-1-carboxamide has a molecular weight of 277.37 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)phenyl]-3-methoxy-4-methylpiperidine-1-carboxamide is sourced from PubChem (CID 102961731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).