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

C15H23N3O — CID 61421947

IUPACN-[3-(aminomethyl)phenyl]-4-ethylpiperidine-1-carboxamide
SMILESCCC1CCN(C(=O)Nc2cccc(CN)c2)CC1
InChIInChI=1S/C15H23N3O/c1-2-12-6-8-18(9-7-12)15(19)17-14-5-3-4-13(10-14)11-16/h3-5,10,12H,2,6-9,11,16H2,1H3,(H,17,19)
InChIKeyQDXQCYJQJKXMPI-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.80
Rot. Bonds3

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

N-[3-(aminomethyl)phenyl]-4-ethylpiperidine-1-carboxamide (PubChem CID 61421947) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N-[3-(aminomethyl)phenyl]-4-ethylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)phenyl]-4-ethylpiperidine-1-carboxamide
PubChem CID61421947
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN-[3-(aminomethyl)phenyl]-4-ethylpiperidine-1-carboxamide
SMILESCCC1CCN(C(=O)Nc2cccc(CN)c2)CC1
InChIInChI=1S/C15H23N3O/c1-2-12-6-8-18(9-7-12)15(19)17-14-5-3-4-13(10-14)11-16/h3-5,10,12H,2,6-9,11,16H2,1H3,(H,17,19)
InChIKeyQDXQCYJQJKXMPI-UHFFFAOYSA-N
XLogP2.80
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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]-4-hydroxy-4-methylpiperidine-1-carboxamide
CID 81116359
N-[3-(aminomethyl)phenyl]-3-methoxy-4-methylpiperidine-1-carboxamide
CID 102961731
4-[3-(aminomethyl)phenyl]-N-phenylpiperidine-1-carboxamide
CID 141045958
(1R,5R)-N-[3-(aminomethyl)phenyl]-3-azabicyclo[3.3.1]nonane-3-carboxamide
CID 74243413
2-[3-[(3-ethylpiperidine-1-carbonyl)amino]phenyl]acetic acid
CID 65345636
2-[3-[(4-methylpiperidine-1-carbonyl)amino]phenyl]acetic acid
CID 65345847
N-[4-(aminomethyl)phenyl]-4-methylpiperidine-1-carboxamide
CID 43133019
N-[3-(aminomethyl)phenyl]-2-propylpiperidine-1-carboxamide
CID 83055508
N-[3-(ethylsulfanylmethyl)phenyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111475142
2-[4-[(4-ethylpiperidine-1-carbonyl)amino]phenyl]acetic acid
CID 61422145

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)phenyl]-4-ethylpiperidine-1-carboxamide?
The IUPAC name of N-[3-(aminomethyl)phenyl]-4-ethylpiperidine-1-carboxamide (CID 61421947) is N-[3-(aminomethyl)phenyl]-4-ethylpiperidine-1-carboxamide.
What is the SMILES notation for N-[3-(aminomethyl)phenyl]-4-ethylpiperidine-1-carboxamide?
The canonical SMILES for N-[3-(aminomethyl)phenyl]-4-ethylpiperidine-1-carboxamide is CCC1CCN(C(=O)Nc2cccc(CN)c2)CC1.
What is the InChIKey of N-[3-(aminomethyl)phenyl]-4-ethylpiperidine-1-carboxamide?
The InChIKey is QDXQCYJQJKXMPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-2-12-6-8-18(9-7-12)15(19)17-14-5-3-4-13(10-14)11-16/h3-5,10,12H,2,6-9,11,16H2,1H3,(H,17,19).
What are the key properties of N-[3-(aminomethyl)phenyl]-4-ethylpiperidine-1-carboxamide?
N-[3-(aminomethyl)phenyl]-4-ethylpiperidine-1-carboxamide has a molecular weight of 261.37 g/mol, XLogP of 2.80, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)phenyl]-4-ethylpiperidine-1-carboxamide is sourced from PubChem (CID 61421947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).