3-[4-[3-(aminomethyl)phenyl]piperidine-1-carbonyl]-1H-quinolin-4-one

C22H23N3O2 — CID 22265985

IUPAC3-[4-[3-(aminomethyl)phenyl]piperidine-1-carbonyl]-1H-quinolin-4-one
SMILESNCc1cccc(C2CCN(C(=O)c3c[nH]c4ccccc4c3=O)CC2)c1
InChIInChI=1S/C22H23N3O2/c23-13-15-4-3-5-17(12-15)16-8-10-25(11-9-16)22(27)19-14-24-20-7-2-1-6-18(20)21(19)26/h1-7,12,14,16H,8-11,13,23H2,(H,24,26)
InChIKeyIZXDUYXMTBSKJR-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.01
Rot. Bonds3

About 3-[4-[3-(aminomethyl)phenyl]piperidine-1-carbonyl]-1H-quinolin-4-one

3-[4-[3-(aminomethyl)phenyl]piperidine-1-carbonyl]-1H-quinolin-4-one (PubChem CID 22265985) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 3-[4-[3-(aminomethyl)phenyl]piperidine-1-carbonyl]-1H-quinolin-4-one.

Molecular Properties

Compound Name3-[4-[3-(aminomethyl)phenyl]piperidine-1-carbonyl]-1H-quinolin-4-one
PubChem CID22265985
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name3-[4-[3-(aminomethyl)phenyl]piperidine-1-carbonyl]-1H-quinolin-4-one
SMILESNCc1cccc(C2CCN(C(=O)c3c[nH]c4ccccc4c3=O)CC2)c1
InChIInChI=1S/C22H23N3O2/c23-13-15-4-3-5-17(12-15)16-8-10-25(11-9-16)22(27)19-14-24-20-7-2-1-6-18(20)21(19)26/h1-7,12,14,16H,8-11,13,23H2,(H,24,26)
InChIKeyIZXDUYXMTBSKJR-UHFFFAOYSA-N
XLogP3.01
TPSA79.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(2-ethylphenyl)methanone
CID 22265908
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(3-hydroxynaphthalen-2-yl)methanone
CID 23587338
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(2-methylsulfanylphenyl)methanone
CID 23587319
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-[2-[hydroxy(dimethyl)silyl]-1H-indol-4-yl]methanone
CID 90213723
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(4-fluorophenyl)methanone
CID 23587358
4-[3-(aminomethyl)phenyl]piperidine-1-carboxylic acid
CID 22266122
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(2,5-dimethylfuran-3-yl)methanone
CID 23587301
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(thiadiazol-4-yl)methanone
CID 23587399
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(3-benzylphenyl)methanone
CID 139986726
(2-amino-3,5-dichlorophenyl)-[4-[3-(aminomethyl)phenyl]piperidin-1-yl]methanone
CID 23587256
[4-[3-(aminomethyl)phenyl]piperidin-1-yl]-(3-hydroxyphenyl)methanone
CID 23587339
4-[3-(aminomethyl)phenyl]-N-phenylpiperidine-1-carboxamide
CID 141045958

Frequently Asked Questions

What is the IUPAC name of 3-[4-[3-(aminomethyl)phenyl]piperidine-1-carbonyl]-1H-quinolin-4-one?
The IUPAC name of 3-[4-[3-(aminomethyl)phenyl]piperidine-1-carbonyl]-1H-quinolin-4-one (CID 22265985) is 3-[4-[3-(aminomethyl)phenyl]piperidine-1-carbonyl]-1H-quinolin-4-one.
What is the SMILES notation for 3-[4-[3-(aminomethyl)phenyl]piperidine-1-carbonyl]-1H-quinolin-4-one?
The canonical SMILES for 3-[4-[3-(aminomethyl)phenyl]piperidine-1-carbonyl]-1H-quinolin-4-one is NCc1cccc(C2CCN(C(=O)c3c[nH]c4ccccc4c3=O)CC2)c1.
What is the InChIKey of 3-[4-[3-(aminomethyl)phenyl]piperidine-1-carbonyl]-1H-quinolin-4-one?
The InChIKey is IZXDUYXMTBSKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c23-13-15-4-3-5-17(12-15)16-8-10-25(11-9-16)22(27)19-14-24-20-7-2-1-6-18(20)21(19)26/h1-7,12,14,16H,8-11,13,23H2,(H,24,26).
What are the key properties of 3-[4-[3-(aminomethyl)phenyl]piperidine-1-carbonyl]-1H-quinolin-4-one?
3-[4-[3-(aminomethyl)phenyl]piperidine-1-carbonyl]-1H-quinolin-4-one has a molecular weight of 361.45 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[3-(aminomethyl)phenyl]piperidine-1-carbonyl]-1H-quinolin-4-one is sourced from PubChem (CID 22265985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).