2-methyl-5-[4-[(1S)-1-phenylpropyl]piperazine-1-carbonyl]-1H-pyridin-4-one

C20H25N3O2 — CID 95933968

IUPAC2-methyl-5-[4-[(1S)-1-phenylpropyl]piperazine-1-carbonyl]-1H-pyridin-4-one
SMILESCC[C@@H](c1ccccc1)N1CCN(C(=O)c2c[nH]c(C)cc2=O)CC1
InChIInChI=1S/C20H25N3O2/c1-3-18(16-7-5-4-6-8-16)22-9-11-23(12-10-22)20(25)17-14-21-15(2)13-19(17)24/h4-8,13-14,18H,3,9-12H2,1-2H3,(H,21,24)/t18-/m0/s1
InChIKeyNDFCFZVJAJLTGR-SFHVURJKSA-N
MW339.44 g/mol
LogP2.59
Rot. Bonds4

About 2-methyl-5-[4-[(1S)-1-phenylpropyl]piperazine-1-carbonyl]-1H-pyridin-4-one

2-methyl-5-[4-[(1S)-1-phenylpropyl]piperazine-1-carbonyl]-1H-pyridin-4-one (PubChem CID 95933968) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 2-methyl-5-[4-[(1S)-1-phenylpropyl]piperazine-1-carbonyl]-1H-pyridin-4-one.

Molecular Properties

Compound Name2-methyl-5-[4-[(1S)-1-phenylpropyl]piperazine-1-carbonyl]-1H-pyridin-4-one
PubChem CID95933968
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name2-methyl-5-[4-[(1S)-1-phenylpropyl]piperazine-1-carbonyl]-1H-pyridin-4-one
SMILESCC[C@@H](c1ccccc1)N1CCN(C(=O)c2c[nH]c(C)cc2=O)CC1
InChIInChI=1S/C20H25N3O2/c1-3-18(16-7-5-4-6-8-16)22-9-11-23(12-10-22)20(25)17-14-21-15(2)13-19(17)24/h4-8,13-14,18H,3,9-12H2,1-2H3,(H,21,24)/t18-/m0/s1
InChIKeyNDFCFZVJAJLTGR-SFHVURJKSA-N
XLogP2.59
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(1,3-dihydroisoindole-2-carbonyl)-2-methyl-1H-pyridin-4-one
CID 103717991
2-[4-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)piperazin-1-yl]acetonitrile
CID 103718195
2-[4-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)-1,4-diazepan-1-yl]acetamide
CID 103717962
6-methyl-4-oxo-N-[(1S)-1-phenylethyl]-1H-pyridine-3-carboxamide
CID 103718004
2-methyl-5-[4-(1-morpholin-4-ylethyl)piperidine-1-carbonyl]-1H-pyridin-4-one
CID 56909455
5-[4-(2-methoxyphenoxy)piperidine-1-carbonyl]-2-methyl-1H-pyridin-4-one
CID 70778695
(5-methyl-1H-pyrazol-3-yl)-[4-(2-phenoxy-1-phenylethyl)piperazin-1-yl]methanone
CID 157013036
(3R)-8-(6-methyl-4-oxo-1H-pyridine-3-carbonyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 97203710
5-[(3S,4R)-3-amino-4-phenylpyrrolidine-1-carbonyl]-2-methyl-1H-pyridin-4-one
CID 120750022
2-methyl-5-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)-1H-pyridin-4-one
CID 114172667
5-[3-(1-aminoethyl)pyrrolidine-1-carbonyl]-2-methyl-1H-pyridin-4-one
CID 103946512
1-[(1R)-1-phenylpropyl]azepane
CID 97315480

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[4-[(1S)-1-phenylpropyl]piperazine-1-carbonyl]-1H-pyridin-4-one?
The IUPAC name of 2-methyl-5-[4-[(1S)-1-phenylpropyl]piperazine-1-carbonyl]-1H-pyridin-4-one (CID 95933968) is 2-methyl-5-[4-[(1S)-1-phenylpropyl]piperazine-1-carbonyl]-1H-pyridin-4-one.
What is the SMILES notation for 2-methyl-5-[4-[(1S)-1-phenylpropyl]piperazine-1-carbonyl]-1H-pyridin-4-one?
The canonical SMILES for 2-methyl-5-[4-[(1S)-1-phenylpropyl]piperazine-1-carbonyl]-1H-pyridin-4-one is CC[C@@H](c1ccccc1)N1CCN(C(=O)c2c[nH]c(C)cc2=O)CC1.
What is the InChIKey of 2-methyl-5-[4-[(1S)-1-phenylpropyl]piperazine-1-carbonyl]-1H-pyridin-4-one?
The InChIKey is NDFCFZVJAJLTGR-SFHVURJKSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-3-18(16-7-5-4-6-8-16)22-9-11-23(12-10-22)20(25)17-14-21-15(2)13-19(17)24/h4-8,13-14,18H,3,9-12H2,1-2H3,(H,21,24)/t18-/m0/s1.
What are the key properties of 2-methyl-5-[4-[(1S)-1-phenylpropyl]piperazine-1-carbonyl]-1H-pyridin-4-one?
2-methyl-5-[4-[(1S)-1-phenylpropyl]piperazine-1-carbonyl]-1H-pyridin-4-one has a molecular weight of 339.44 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[4-[(1S)-1-phenylpropyl]piperazine-1-carbonyl]-1H-pyridin-4-one is sourced from PubChem (CID 95933968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).