4-methyl-N-(oxolan-3-yl)-2-phenylpiperazine-1-carboxamide

C16H23N3O2 — CID 115760734

IUPAC4-methyl-N-(oxolan-3-yl)-2-phenylpiperazine-1-carboxamide
SMILESCN1CCN(C(=O)NC2CCOC2)C(c2ccccc2)C1
InChIInChI=1S/C16H23N3O2/c1-18-8-9-19(16(20)17-14-7-10-21-12-14)15(11-18)13-5-3-2-4-6-13/h2-6,14-15H,7-12H2,1H3,(H,17,20)
InChIKeyRIYOGRKUNXTAAE-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.47
Rot. Bonds2

About 4-methyl-N-(oxolan-3-yl)-2-phenylpiperazine-1-carboxamide

4-methyl-N-(oxolan-3-yl)-2-phenylpiperazine-1-carboxamide (PubChem CID 115760734) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 4-methyl-N-(oxolan-3-yl)-2-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(oxolan-3-yl)-2-phenylpiperazine-1-carboxamide
PubChem CID115760734
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name4-methyl-N-(oxolan-3-yl)-2-phenylpiperazine-1-carboxamide
SMILESCN1CCN(C(=O)NC2CCOC2)C(c2ccccc2)C1
InChIInChI=1S/C16H23N3O2/c1-18-8-9-19(16(20)17-14-7-10-21-12-14)15(11-18)13-5-3-2-4-6-13/h2-6,14-15H,7-12H2,1H3,(H,17,20)
InChIKeyRIYOGRKUNXTAAE-UHFFFAOYSA-N
XLogP1.47
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methyl-2-phenylpiperazin-1-yl)-(oxan-4-yl)methanone
CID 51251992
4-methyl-N-(oxan-4-yl)-3-phenylpiperazine-1-carboxamide
CID 110610555
2-[(4-methyl-2-phenylpiperazine-1-carbonyl)amino]propanoic acid
CID 61181654
N-(2-chloropropanoyl)-4-methyl-2-phenylpiperazine-1-carboxamide
CID 43328757
4-methyl-N-(4-methylphenyl)-2-phenylpiperazine-1-carboxamide
CID 24612409
[(2S)-4-methyl-2-phenylpiperazin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 100836872
N-[cyclopropyl(phenyl)methyl]-4-methyl-2-phenylpiperazine-1-carboxamide
CID 75865061
(2R)-4-methyl-N-(1-methyl-6-oxo-3-pyridinyl)-2-phenylpiperazine-1-carboxamide
CID 97314638
(4-methyl-2-phenylpiperazin-1-yl)-phenylmethanone
CID 4069484
4-[(2R)-4-methyl-2-phenylpiperazine-1-carbonyl]-N-phenylpiperidine-1-carboxamide
CID 37332907
4-[(2S)-4-methyl-2-phenylpiperazine-1-carbonyl]-N-phenylpiperidine-1-carboxamide
CID 37332906
(2-hydroxyphenyl)-(4-methyl-2-phenylpiperazin-1-yl)methanone
CID 43824710

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(oxolan-3-yl)-2-phenylpiperazine-1-carboxamide?
The IUPAC name of 4-methyl-N-(oxolan-3-yl)-2-phenylpiperazine-1-carboxamide (CID 115760734) is 4-methyl-N-(oxolan-3-yl)-2-phenylpiperazine-1-carboxamide.
What is the SMILES notation for 4-methyl-N-(oxolan-3-yl)-2-phenylpiperazine-1-carboxamide?
The canonical SMILES for 4-methyl-N-(oxolan-3-yl)-2-phenylpiperazine-1-carboxamide is CN1CCN(C(=O)NC2CCOC2)C(c2ccccc2)C1.
What is the InChIKey of 4-methyl-N-(oxolan-3-yl)-2-phenylpiperazine-1-carboxamide?
The InChIKey is RIYOGRKUNXTAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-18-8-9-19(16(20)17-14-7-10-21-12-14)15(11-18)13-5-3-2-4-6-13/h2-6,14-15H,7-12H2,1H3,(H,17,20).
What are the key properties of 4-methyl-N-(oxolan-3-yl)-2-phenylpiperazine-1-carboxamide?
4-methyl-N-(oxolan-3-yl)-2-phenylpiperazine-1-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(oxolan-3-yl)-2-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 115760734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).