(4-methyl-2-phenylpiperazin-1-yl)-(oxan-4-yl)methanone

C17H24N2O2 — CID 51251992

IUPAC(4-methyl-2-phenylpiperazin-1-yl)-(oxan-4-yl)methanone
SMILESCN1CCN(C(=O)C2CCOCC2)C(c2ccccc2)C1
InChIInChI=1S/C17H24N2O2/c1-18-9-10-19(17(20)15-7-11-21-12-8-15)16(13-18)14-5-3-2-4-6-14/h2-6,15-16H,7-13H2,1H3
InChIKeyNMBPWZOLXXZUAY-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.93
Rot. Bonds2

About (4-methyl-2-phenylpiperazin-1-yl)-(oxan-4-yl)methanone

(4-methyl-2-phenylpiperazin-1-yl)-(oxan-4-yl)methanone (PubChem CID 51251992) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is (4-methyl-2-phenylpiperazin-1-yl)-(oxan-4-yl)methanone.

Molecular Properties

Compound Name(4-methyl-2-phenylpiperazin-1-yl)-(oxan-4-yl)methanone
PubChem CID51251992
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name(4-methyl-2-phenylpiperazin-1-yl)-(oxan-4-yl)methanone
SMILESCN1CCN(C(=O)C2CCOCC2)C(c2ccccc2)C1
InChIInChI=1S/C17H24N2O2/c1-18-9-10-19(17(20)15-7-11-21-12-8-15)16(13-18)14-5-3-2-4-6-14/h2-6,15-16H,7-13H2,1H3
InChIKeyNMBPWZOLXXZUAY-UHFFFAOYSA-N
XLogP1.93
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3S)-4-(oxane-4-carbonyl)-3-phenylpiperazin-1-yl]ethanone
CID 124947252
(1-ethylsulfonylpiperidin-4-yl)-(4-methyl-2-phenylpiperazin-1-yl)methanone
CID 51266743
[(2S)-4-methyl-2-phenylpiperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 100836872
4-[(2S)-4-methyl-2-phenylpiperazine-1-carbonyl]-N-phenylpiperidine-1-carboxamide
CID 37332906
4-[(2R)-4-methyl-2-phenylpiperazine-1-carbonyl]-N-phenylpiperidine-1-carboxamide
CID 37332907
4-methyl-N-(oxolan-3-yl)-2-phenylpiperazine-1-carboxamide
CID 115760734
tert-butyl 4-[(2R)-4-methyl-2-phenylpiperazine-1-carbonyl]piperidine-1-carboxylate
CID 30665594
(4-methyl-2-phenylpiperazin-1-yl)-pyrrolidin-1-ylmethanone
CID 115578734
(4-methyl-2-phenylpiperazin-1-yl)-phenylmethanone
CID 4069484
2-[3-(4-methyl-2-phenylpiperazine-1-carbonyl)piperidin-1-yl]acetamide
CID 131911214
[(3S)-1-(furan-2-carbonyl)piperidin-3-yl]-[(2S)-4-methyl-2-phenylpiperazin-1-yl]methanone
CID 99855360
(2-hydroxyphenyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone
CID 43824710

Frequently Asked Questions

What is the IUPAC name of (4-methyl-2-phenylpiperazin-1-yl)-(oxan-4-yl)methanone?
The IUPAC name of (4-methyl-2-phenylpiperazin-1-yl)-(oxan-4-yl)methanone (CID 51251992) is (4-methyl-2-phenylpiperazin-1-yl)-(oxan-4-yl)methanone.
What is the SMILES notation for (4-methyl-2-phenylpiperazin-1-yl)-(oxan-4-yl)methanone?
The canonical SMILES for (4-methyl-2-phenylpiperazin-1-yl)-(oxan-4-yl)methanone is CN1CCN(C(=O)C2CCOCC2)C(c2ccccc2)C1.
What is the InChIKey of (4-methyl-2-phenylpiperazin-1-yl)-(oxan-4-yl)methanone?
The InChIKey is NMBPWZOLXXZUAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-18-9-10-19(17(20)15-7-11-21-12-8-15)16(13-18)14-5-3-2-4-6-14/h2-6,15-16H,7-13H2,1H3.
What are the key properties of (4-methyl-2-phenylpiperazin-1-yl)-(oxan-4-yl)methanone?
(4-methyl-2-phenylpiperazin-1-yl)-(oxan-4-yl)methanone has a molecular weight of 288.39 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-2-phenylpiperazin-1-yl)-(oxan-4-yl)methanone is sourced from PubChem (CID 51251992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).