4-methyl-N-(oxan-4-yl)-3-phenylpiperazine-1-carboxamide

C17H25N3O2 — CID 110610555

IUPAC4-methyl-N-(oxan-4-yl)-3-phenylpiperazine-1-carboxamide
SMILESCN1CCN(C(=O)NC2CCOCC2)CC1c1ccccc1
InChIInChI=1S/C17H25N3O2/c1-19-9-10-20(13-16(19)14-5-3-2-4-6-14)17(21)18-15-7-11-22-12-8-15/h2-6,15-16H,7-13H2,1H3,(H,18,21)
InChIKeyCIYWQYHENJCUBO-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.86
Rot. Bonds2

About 4-methyl-N-(oxan-4-yl)-3-phenylpiperazine-1-carboxamide

4-methyl-N-(oxan-4-yl)-3-phenylpiperazine-1-carboxamide (PubChem CID 110610555) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 4-methyl-N-(oxan-4-yl)-3-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(oxan-4-yl)-3-phenylpiperazine-1-carboxamide
PubChem CID110610555
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name4-methyl-N-(oxan-4-yl)-3-phenylpiperazine-1-carboxamide
SMILESCN1CCN(C(=O)NC2CCOCC2)CC1c1ccccc1
InChIInChI=1S/C17H25N3O2/c1-19-9-10-20(13-16(19)14-5-3-2-4-6-14)17(21)18-15-7-11-22-12-8-15/h2-6,15-16H,7-13H2,1H3,(H,18,21)
InChIKeyCIYWQYHENJCUBO-UHFFFAOYSA-N
XLogP1.86
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-methyl-3-phenylpiperazine-1-carboxylate
CID 110602881
(8aS)-N-(oxan-4-yl)-1,3-dioxo-2-[(1S,2R)-2-phenylcyclopropyl]-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide
CID 46180911
4-methyl-N-(oxolan-3-yl)-2-phenylpiperazine-1-carboxamide
CID 115760734
4-(oxan-4-yl)-N-(4-phenylcyclohexyl)piperazine-1-carboxamide
CID 126784702
(2-chlorophenyl)-(4-methyl-3-phenylpiperazin-1-yl)methanone
CID 110602874
1-(4-methyl-3-phenylpiperazin-1-yl)-2-pyrrolidin-1-ylethanone
CID 77095873
1-[(3S)-4-(oxane-4-carbonyl)-3-phenylpiperazin-1-yl]ethanone
CID 124947252
(2-fluorophenyl)-(4-methyl-3-phenylpiperazin-1-yl)methanone
CID 110418472
N-(oxan-4-yl)-2-(2-phenylethyl)morpholine-4-carboxamide
CID 126776750
(4-methyl-3-phenylpiperazin-1-yl)-pyridazin-4-ylmethanone
CID 86285379
(1,3-dimethylpyrazol-4-yl)-[(3R)-4-methyl-3-phenylpiperazin-1-yl]methanone
CID 125001754
(4-methyl-3-phenylpiperazin-1-yl)-(1-methylsulfonylpiperidin-4-yl)methanone
CID 110418535

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(oxan-4-yl)-3-phenylpiperazine-1-carboxamide?
The IUPAC name of 4-methyl-N-(oxan-4-yl)-3-phenylpiperazine-1-carboxamide (CID 110610555) is 4-methyl-N-(oxan-4-yl)-3-phenylpiperazine-1-carboxamide.
What is the SMILES notation for 4-methyl-N-(oxan-4-yl)-3-phenylpiperazine-1-carboxamide?
The canonical SMILES for 4-methyl-N-(oxan-4-yl)-3-phenylpiperazine-1-carboxamide is CN1CCN(C(=O)NC2CCOCC2)CC1c1ccccc1.
What is the InChIKey of 4-methyl-N-(oxan-4-yl)-3-phenylpiperazine-1-carboxamide?
The InChIKey is CIYWQYHENJCUBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-19-9-10-20(13-16(19)14-5-3-2-4-6-14)17(21)18-15-7-11-22-12-8-15/h2-6,15-16H,7-13H2,1H3,(H,18,21).
What are the key properties of 4-methyl-N-(oxan-4-yl)-3-phenylpiperazine-1-carboxamide?
4-methyl-N-(oxan-4-yl)-3-phenylpiperazine-1-carboxamide has a molecular weight of 303.41 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(oxan-4-yl)-3-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 110610555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).