1-methyl-4-[4-(2-phenylacetyl)piperazine-1-carbonyl]piperidin-2-one

C19H25N3O3 — CID 146123827

IUPAC1-methyl-4-[4-(2-phenylacetyl)piperazine-1-carbonyl]piperidin-2-one
SMILESCN1CCC(C(=O)N2CCN(C(=O)Cc3ccccc3)CC2)CC1=O
InChIInChI=1S/C19H25N3O3/c1-20-8-7-16(14-17(20)23)19(25)22-11-9-21(10-12-22)18(24)13-15-5-3-2-4-6-15/h2-6,16H,7-14H2,1H3
InChIKeyOCSOMVBXZIYLQC-UHFFFAOYSA-N
MW343.43 g/mol
LogP0.77
Rot. Bonds3

About 1-methyl-4-[4-(2-phenylacetyl)piperazine-1-carbonyl]piperidin-2-one

1-methyl-4-[4-(2-phenylacetyl)piperazine-1-carbonyl]piperidin-2-one (PubChem CID 146123827) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 1-methyl-4-[4-(2-phenylacetyl)piperazine-1-carbonyl]piperidin-2-one.

Molecular Properties

Compound Name1-methyl-4-[4-(2-phenylacetyl)piperazine-1-carbonyl]piperidin-2-one
PubChem CID146123827
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name1-methyl-4-[4-(2-phenylacetyl)piperazine-1-carbonyl]piperidin-2-one
SMILESCN1CCC(C(=O)N2CCN(C(=O)Cc3ccccc3)CC2)CC1=O
InChIInChI=1S/C19H25N3O3/c1-20-8-7-16(14-17(20)23)19(25)22-11-9-21(10-12-22)18(24)13-15-5-3-2-4-6-15/h2-6,16H,7-14H2,1H3
InChIKeyOCSOMVBXZIYLQC-UHFFFAOYSA-N
XLogP0.77
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 50.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-phenylethanone
CID 875936
1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-phenylethanone
CID 110364750
1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-phenylethanone
CID 113005998
1-(2-methoxyethyl)-4-[4-(2-phenylacetyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 110346315
2-phenyl-1-[4-(4-phenylpiperazine-1-carbonyl)piperidin-1-yl]ethanone
CID 1331173
1-methyl-4-[4-[(2-methylphenyl)methyl]-1,4-diazepane-1-carbonyl]piperidin-2-one
CID 56812349
1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-(4-phenylphenyl)ethanone
CID 43009927
(4R)-1-methyl-4-[4-(2-phenylethyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 94092841
5-[4-(2-phenylacetyl)-1,4-diazepane-1-carbonyl]pyrrolidin-2-one
CID 110808253
4-[4-(2,6-difluorophenyl)piperazine-1-carbonyl]-1-methylpiperidin-2-one
CID 136549408
1-[4-(cyclobutanecarbonyl)piperazin-1-yl]-2-(3-methylphenyl)ethanone
CID 110818726
1-methyl-3-[4-(2-phenylacetyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 110723652

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[4-(2-phenylacetyl)piperazine-1-carbonyl]piperidin-2-one?
The IUPAC name of 1-methyl-4-[4-(2-phenylacetyl)piperazine-1-carbonyl]piperidin-2-one (CID 146123827) is 1-methyl-4-[4-(2-phenylacetyl)piperazine-1-carbonyl]piperidin-2-one.
What is the SMILES notation for 1-methyl-4-[4-(2-phenylacetyl)piperazine-1-carbonyl]piperidin-2-one?
The canonical SMILES for 1-methyl-4-[4-(2-phenylacetyl)piperazine-1-carbonyl]piperidin-2-one is CN1CCC(C(=O)N2CCN(C(=O)Cc3ccccc3)CC2)CC1=O.
What is the InChIKey of 1-methyl-4-[4-(2-phenylacetyl)piperazine-1-carbonyl]piperidin-2-one?
The InChIKey is OCSOMVBXZIYLQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-20-8-7-16(14-17(20)23)19(25)22-11-9-21(10-12-22)18(24)13-15-5-3-2-4-6-15/h2-6,16H,7-14H2,1H3.
What are the key properties of 1-methyl-4-[4-(2-phenylacetyl)piperazine-1-carbonyl]piperidin-2-one?
1-methyl-4-[4-(2-phenylacetyl)piperazine-1-carbonyl]piperidin-2-one has a molecular weight of 343.43 g/mol, XLogP of 0.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[4-(2-phenylacetyl)piperazine-1-carbonyl]piperidin-2-one is sourced from PubChem (CID 146123827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).