1-methyl-5-[[4-(2-phenylacetyl)piperazin-1-yl]methyl]pyridin-2-one

C19H23N3O2 — CID 53191729

IUPAC1-methyl-5-[[4-(2-phenylacetyl)piperazin-1-yl]methyl]pyridin-2-one
SMILESCn1cc(CN2CCN(C(=O)Cc3ccccc3)CC2)ccc1=O
InChIInChI=1S/C19H23N3O2/c1-20-14-17(7-8-18(20)23)15-21-9-11-22(12-10-21)19(24)13-16-5-3-2-4-6-16/h2-8,14H,9-13,15H2,1H3
InChIKeyCSRATSVOQASUHU-UHFFFAOYSA-N
MW325.41 g/mol
LogP1.27
Rot. Bonds4

About 1-methyl-5-[[4-(2-phenylacetyl)piperazin-1-yl]methyl]pyridin-2-one

1-methyl-5-[[4-(2-phenylacetyl)piperazin-1-yl]methyl]pyridin-2-one (PubChem CID 53191729) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 1-methyl-5-[[4-(2-phenylacetyl)piperazin-1-yl]methyl]pyridin-2-one.

Molecular Properties

Compound Name1-methyl-5-[[4-(2-phenylacetyl)piperazin-1-yl]methyl]pyridin-2-one
PubChem CID53191729
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name1-methyl-5-[[4-(2-phenylacetyl)piperazin-1-yl]methyl]pyridin-2-one
SMILESCn1cc(CN2CCN(C(=O)Cc3ccccc3)CC2)ccc1=O
InChIInChI=1S/C19H23N3O2/c1-20-14-17(7-8-18(20)23)15-21-9-11-22(12-10-21)19(24)13-16-5-3-2-4-6-16/h2-8,14H,9-13,15H2,1H3
InChIKeyCSRATSVOQASUHU-UHFFFAOYSA-N
XLogP1.27
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-benzylpiperazin-1-yl)-2-(4-fluorophenyl)ethanone
CID 21241521
1-(4-benzylpiperazin-1-yl)-2-(1-methylpyrrol-3-yl)ethanone
CID 110768949
1-(4-pentylpiperazin-1-yl)-2-phenylethanone
CID 113075097
3-[[4-(2-phenylacetyl)piperazin-1-yl]methyl]benzoic acid
CID 122028603
1-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-2-phenylethanone
CID 59140032
1-[4-[(4-nitrophenyl)methyl]piperazin-1-yl]-2-phenylethanone
CID 874059
1-(4-benzylpiperazin-1-yl)-2-(4-morpholin-4-ylphenyl)ethanone
CID 110411980
[4-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]phenyl] N,N-dimethylcarbamate
CID 50907049
1,3-bis(4-benzylpiperazin-1-yl)propane-1,3-dione
CID 13023421
1-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-phenylethanone;hydrochloride
CID 171151119
2-[4-[2-(4-benzylpiperazin-1-yl)ethyl]phenyl]-1-thiomorpholin-4-ylethanone;dihydrochloride
CID 70468668
1-(4-benzylpiperazin-1-yl)-2-(3-bromophenyl)ethanone
CID 100698276

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[[4-(2-phenylacetyl)piperazin-1-yl]methyl]pyridin-2-one?
The IUPAC name of 1-methyl-5-[[4-(2-phenylacetyl)piperazin-1-yl]methyl]pyridin-2-one (CID 53191729) is 1-methyl-5-[[4-(2-phenylacetyl)piperazin-1-yl]methyl]pyridin-2-one.
What is the SMILES notation for 1-methyl-5-[[4-(2-phenylacetyl)piperazin-1-yl]methyl]pyridin-2-one?
The canonical SMILES for 1-methyl-5-[[4-(2-phenylacetyl)piperazin-1-yl]methyl]pyridin-2-one is Cn1cc(CN2CCN(C(=O)Cc3ccccc3)CC2)ccc1=O.
What is the InChIKey of 1-methyl-5-[[4-(2-phenylacetyl)piperazin-1-yl]methyl]pyridin-2-one?
The InChIKey is CSRATSVOQASUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-20-14-17(7-8-18(20)23)15-21-9-11-22(12-10-21)19(24)13-16-5-3-2-4-6-16/h2-8,14H,9-13,15H2,1H3.
What are the key properties of 1-methyl-5-[[4-(2-phenylacetyl)piperazin-1-yl]methyl]pyridin-2-one?
1-methyl-5-[[4-(2-phenylacetyl)piperazin-1-yl]methyl]pyridin-2-one has a molecular weight of 325.41 g/mol, XLogP of 1.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[[4-(2-phenylacetyl)piperazin-1-yl]methyl]pyridin-2-one is sourced from PubChem (CID 53191729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).