(1-methyl-4-phenylpiperidin-4-yl)-piperazin-1-ylmethanone

C17H25N3O — CID 59716936

IUPAC(1-methyl-4-phenylpiperidin-4-yl)-piperazin-1-ylmethanone
SMILESCN1CCC(C(=O)N2CCNCC2)(c2ccccc2)CC1
InChIInChI=1S/C17H25N3O/c1-19-11-7-17(8-12-19,15-5-3-2-4-6-15)16(21)20-13-9-18-10-14-20/h2-6,18H,7-14H2,1H3
InChIKeyULEDUYLZNHZKNZ-UHFFFAOYSA-N
MW287.41 g/mol
LogP1.08
Rot. Bonds2

About (1-methyl-4-phenylpiperidin-4-yl)-piperazin-1-ylmethanone

(1-methyl-4-phenylpiperidin-4-yl)-piperazin-1-ylmethanone (PubChem CID 59716936) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is (1-methyl-4-phenylpiperidin-4-yl)-piperazin-1-ylmethanone.

Molecular Properties

Compound Name(1-methyl-4-phenylpiperidin-4-yl)-piperazin-1-ylmethanone
PubChem CID59716936
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name(1-methyl-4-phenylpiperidin-4-yl)-piperazin-1-ylmethanone
SMILESCN1CCC(C(=O)N2CCNCC2)(c2ccccc2)CC1
InChIInChI=1S/C17H25N3O/c1-19-11-7-17(8-12-19,15-5-3-2-4-6-15)16(21)20-13-9-18-10-14-20/h2-6,18H,7-14H2,1H3
InChIKeyULEDUYLZNHZKNZ-UHFFFAOYSA-N
XLogP1.08
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-phenylcyclobutyl)-piperazin-1-ylmethanone
CID 110463899
1-methyl-4-(1-methyl-4-phenylpiperidine-4-carbonyl)piperazin-2-one
CID 91836361
[(3R)-3-methylpiperazin-1-yl]-(1-phenylcyclopropyl)methanone
CID 81426595
(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-(4-fluorophenyl)cyclopropyl]-piperazin-1-ylmethanone;hydrochloride
CID 119403724
[1-(4-chlorophenyl)cyclopropyl]-piperazin-1-ylmethanone
CID 50742286
[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-(4-phenylpiperidin-4-yl)methanone
CID 107220719
[1-(3-bromophenyl)cyclopropyl]-piperazin-1-ylmethanone;hydrochloride
CID 119401763
(1-phenylcyclopropyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120996455
[1-(4-chlorophenyl)cyclopentyl]-piperazin-1-ylmethanone;hydrochloride
CID 119401297
[1-(3-hydroxyphenyl)cyclohexyl]-piperazin-1-ylmethanone
CID 18536151

Frequently Asked Questions

What is the IUPAC name of (1-methyl-4-phenylpiperidin-4-yl)-piperazin-1-ylmethanone?
The IUPAC name of (1-methyl-4-phenylpiperidin-4-yl)-piperazin-1-ylmethanone (CID 59716936) is (1-methyl-4-phenylpiperidin-4-yl)-piperazin-1-ylmethanone.
What is the SMILES notation for (1-methyl-4-phenylpiperidin-4-yl)-piperazin-1-ylmethanone?
The canonical SMILES for (1-methyl-4-phenylpiperidin-4-yl)-piperazin-1-ylmethanone is CN1CCC(C(=O)N2CCNCC2)(c2ccccc2)CC1.
What is the InChIKey of (1-methyl-4-phenylpiperidin-4-yl)-piperazin-1-ylmethanone?
The InChIKey is ULEDUYLZNHZKNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-19-11-7-17(8-12-19,15-5-3-2-4-6-15)16(21)20-13-9-18-10-14-20/h2-6,18H,7-14H2,1H3.
What are the key properties of (1-methyl-4-phenylpiperidin-4-yl)-piperazin-1-ylmethanone?
(1-methyl-4-phenylpiperidin-4-yl)-piperazin-1-ylmethanone has a molecular weight of 287.41 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-4-phenylpiperidin-4-yl)-piperazin-1-ylmethanone is sourced from PubChem (CID 59716936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).