1-methyl-4-(1-methyl-4-phenylpiperidine-4-carbonyl)piperazin-2-one

C18H25N3O2 — CID 91836361

IUPAC1-methyl-4-(1-methyl-4-phenylpiperidine-4-carbonyl)piperazin-2-one
SMILESCN1CCC(C(=O)N2CCN(C)C(=O)C2)(c2ccccc2)CC1
InChIInChI=1S/C18H25N3O2/c1-19-10-8-18(9-11-19,15-6-4-3-5-7-15)17(23)21-13-12-20(2)16(22)14-21/h3-7H,8-14H2,1-2H3
InChIKeyQUADJPWNSPCAHZ-UHFFFAOYSA-N
MW315.42 g/mol
LogP0.95
Rot. Bonds2

About 1-methyl-4-(1-methyl-4-phenylpiperidine-4-carbonyl)piperazin-2-one

1-methyl-4-(1-methyl-4-phenylpiperidine-4-carbonyl)piperazin-2-one (PubChem CID 91836361) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 1-methyl-4-(1-methyl-4-phenylpiperidine-4-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name1-methyl-4-(1-methyl-4-phenylpiperidine-4-carbonyl)piperazin-2-one
PubChem CID91836361
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name1-methyl-4-(1-methyl-4-phenylpiperidine-4-carbonyl)piperazin-2-one
SMILESCN1CCC(C(=O)N2CCN(C)C(=O)C2)(c2ccccc2)CC1
InChIInChI=1S/C18H25N3O2/c1-19-10-8-18(9-11-19,15-6-4-3-5-7-15)17(23)21-13-12-20(2)16(22)14-21/h3-7H,8-14H2,1-2H3
InChIKeyQUADJPWNSPCAHZ-UHFFFAOYSA-N
XLogP0.95
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(1-methyl-4-phenylpiperidin-4-yl)-piperazin-1-ylmethanone
CID 59716936
(1-benzyl-4-phenylpiperidin-4-yl)-(4-methylpiperazin-1-yl)methanone
CID 59395182
ethane;1-(1-methyl-4-phenylpiperidin-4-yl)ethanone
CID 142234694
1-ethyl-4-(4-phenyl-1-prop-2-enoylpiperidine-4-carbonyl)-1,4-diazepan-2-one
CID 166405931
N-[(3aS,5R,6R,7aR)-6-methoxy-2-(1-methyl-4-phenylpiperidine-4-carbonyl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-yl]acetamide
CID 172672775
(3aR,6aR)-5-(1-methyl-4-phenylpiperidine-4-carbonyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylic acid
CID 138809949
(1'-methylspiro[3,5-dihydro-1,4-benzoxazepine-2,4'-piperidine]-4-yl)-(1-phenylcyclopropyl)methanone
CID 91919622
1-methyl-4-phenylazepane-4-carboxamide;hydrate
CID 158339828
[(3R,4R)-3-hydroxy-4-(4-methylpiperazin-1-yl)pyrrolidin-1-yl]-(1-phenylcyclopropyl)methanone
CID 110108383
1-methyl-4-[2-[methyl(2-phenylethyl)amino]-1,3-dihydroindene-2-carbonyl]piperazin-2-one
CID 56893485
4-(3,3-diphenylpropanoyl)-1-methylpiperazin-2-one
CID 110708065
(1-phenylcyclopentyl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 135165735

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(1-methyl-4-phenylpiperidine-4-carbonyl)piperazin-2-one?
The IUPAC name of 1-methyl-4-(1-methyl-4-phenylpiperidine-4-carbonyl)piperazin-2-one (CID 91836361) is 1-methyl-4-(1-methyl-4-phenylpiperidine-4-carbonyl)piperazin-2-one.
What is the SMILES notation for 1-methyl-4-(1-methyl-4-phenylpiperidine-4-carbonyl)piperazin-2-one?
The canonical SMILES for 1-methyl-4-(1-methyl-4-phenylpiperidine-4-carbonyl)piperazin-2-one is CN1CCC(C(=O)N2CCN(C)C(=O)C2)(c2ccccc2)CC1.
What is the InChIKey of 1-methyl-4-(1-methyl-4-phenylpiperidine-4-carbonyl)piperazin-2-one?
The InChIKey is QUADJPWNSPCAHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-19-10-8-18(9-11-19,15-6-4-3-5-7-15)17(23)21-13-12-20(2)16(22)14-21/h3-7H,8-14H2,1-2H3.
What are the key properties of 1-methyl-4-(1-methyl-4-phenylpiperidine-4-carbonyl)piperazin-2-one?
1-methyl-4-(1-methyl-4-phenylpiperidine-4-carbonyl)piperazin-2-one has a molecular weight of 315.42 g/mol, XLogP of 0.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(1-methyl-4-phenylpiperidine-4-carbonyl)piperazin-2-one is sourced from PubChem (CID 91836361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).