3-[3-(1-aminoethyl)piperidine-1-carbonyl]-6-phenyl-1H-pyridin-2-one

C19H23N3O2 — CID 119595143

IUPAC3-[3-(1-aminoethyl)piperidine-1-carbonyl]-6-phenyl-1H-pyridin-2-one
SMILESCC(N)C1CCCN(C(=O)c2ccc(-c3ccccc3)[nH]c2=O)C1
InChIInChI=1S/C19H23N3O2/c1-13(20)15-8-5-11-22(12-15)19(24)16-9-10-17(21-18(16)23)14-6-3-2-4-7-14/h2-4,6-7,9-10,13,15H,5,8,11-12,20H2,1H3,(H,21,23)
InChIKeyLBDZRGIBDPYDNG-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.24
Rot. Bonds3

About 3-[3-(1-aminoethyl)piperidine-1-carbonyl]-6-phenyl-1H-pyridin-2-one

3-[3-(1-aminoethyl)piperidine-1-carbonyl]-6-phenyl-1H-pyridin-2-one (PubChem CID 119595143) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 3-[3-(1-aminoethyl)piperidine-1-carbonyl]-6-phenyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[3-(1-aminoethyl)piperidine-1-carbonyl]-6-phenyl-1H-pyridin-2-one
PubChem CID119595143
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name3-[3-(1-aminoethyl)piperidine-1-carbonyl]-6-phenyl-1H-pyridin-2-one
SMILESCC(N)C1CCCN(C(=O)c2ccc(-c3ccccc3)[nH]c2=O)C1
InChIInChI=1S/C19H23N3O2/c1-13(20)15-8-5-11-22(12-15)19(24)16-9-10-17(21-18(16)23)14-6-3-2-4-7-14/h2-4,6-7,9-10,13,15H,5,8,11-12,20H2,1H3,(H,21,23)
InChIKeyLBDZRGIBDPYDNG-UHFFFAOYSA-N
XLogP2.24
TPSA79.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(methylamino)piperidine-1-carbonyl]-6-phenyl-1H-pyridin-2-one
CID 119491224
[3-(1-aminoethyl)piperidin-1-yl]-(2-methyl-6-phenyl-3-pyridinyl)methanone
CID 119594584
[(3S)-3-[(1S)-1-aminoethyl]piperidin-1-yl]-(5-phenyl-1H-pyrazol-4-yl)methanone
CID 124690594
[2-[3-(1-aminoethyl)piperidine-1-carbonyl]phenyl]-phenylmethanone;hydrochloride
CID 119592633
3-(3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)-6-phenyl-1H-pyridin-2-one;hydrochloride
CID 119637585
[(3R)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-(2-benzylphenyl)methanone
CID 125135374
[3-(1-aminoethyl)piperidin-1-yl]-(2-methylquinolin-4-yl)methanone
CID 119595926
[3-(1-aminoethyl)piperidin-1-yl]-(2-propan-2-ylsulfanylphenyl)methanone;hydrochloride
CID 119595456
[3-(1-aminoethyl)piperidin-1-yl]-(1-benzyl-2,5-dimethylpyrrol-3-yl)methanone
CID 119594525
3-[3-(1-aminoethyl)piperidine-1-carbonyl]chromen-2-one;hydrochloride
CID 119594343
[3-(1-aminoethyl)piperidin-1-yl]-(3-hydroxy-2-methylphenyl)methanone
CID 82830655
[3-(1-aminoethyl)piperidin-1-yl]-[2-(4-methylphenyl)quinolin-4-yl]methanone
CID 119594358

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1-aminoethyl)piperidine-1-carbonyl]-6-phenyl-1H-pyridin-2-one?
The IUPAC name of 3-[3-(1-aminoethyl)piperidine-1-carbonyl]-6-phenyl-1H-pyridin-2-one (CID 119595143) is 3-[3-(1-aminoethyl)piperidine-1-carbonyl]-6-phenyl-1H-pyridin-2-one.
What is the SMILES notation for 3-[3-(1-aminoethyl)piperidine-1-carbonyl]-6-phenyl-1H-pyridin-2-one?
The canonical SMILES for 3-[3-(1-aminoethyl)piperidine-1-carbonyl]-6-phenyl-1H-pyridin-2-one is CC(N)C1CCCN(C(=O)c2ccc(-c3ccccc3)[nH]c2=O)C1.
What is the InChIKey of 3-[3-(1-aminoethyl)piperidine-1-carbonyl]-6-phenyl-1H-pyridin-2-one?
The InChIKey is LBDZRGIBDPYDNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-13(20)15-8-5-11-22(12-15)19(24)16-9-10-17(21-18(16)23)14-6-3-2-4-7-14/h2-4,6-7,9-10,13,15H,5,8,11-12,20H2,1H3,(H,21,23).
What are the key properties of 3-[3-(1-aminoethyl)piperidine-1-carbonyl]-6-phenyl-1H-pyridin-2-one?
3-[3-(1-aminoethyl)piperidine-1-carbonyl]-6-phenyl-1H-pyridin-2-one has a molecular weight of 325.41 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1-aminoethyl)piperidine-1-carbonyl]-6-phenyl-1H-pyridin-2-one is sourced from PubChem (CID 119595143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).