2,2-dimethyl-3-oxo-N-phenylpiperazine-1-carboxamide

C13H17N3O2 — CID 53017589

IUPAC2,2-dimethyl-3-oxo-N-phenylpiperazine-1-carboxamide
SMILESCC1(C)C(=O)NCCN1C(=O)Nc1ccccc1
InChIInChI=1S/C13H17N3O2/c1-13(2)11(17)14-8-9-16(13)12(18)15-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H,14,17)(H,15,18)
InChIKeyFEDXVRSYUXIILZ-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.43
Rot. Bonds1

About 2,2-dimethyl-3-oxo-N-phenylpiperazine-1-carboxamide

2,2-dimethyl-3-oxo-N-phenylpiperazine-1-carboxamide (PubChem CID 53017589) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 2,2-dimethyl-3-oxo-N-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound Name2,2-dimethyl-3-oxo-N-phenylpiperazine-1-carboxamide
PubChem CID53017589
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name2,2-dimethyl-3-oxo-N-phenylpiperazine-1-carboxamide
SMILESCC1(C)C(=O)NCCN1C(=O)Nc1ccccc1
InChIInChI=1S/C13H17N3O2/c1-13(2)11(17)14-8-9-16(13)12(18)15-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H,14,17)(H,15,18)
InChIKeyFEDXVRSYUXIILZ-UHFFFAOYSA-N
XLogP1.43
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(1-aminoethyl)phenyl]-2,2-dimethyl-3-oxopiperazine-1-carboxamide
CID 63600397
3,3-dimethyl-4-(2-phenylacetyl)piperazin-2-one
CID 16863839
N-tert-butyl-2,2-dimethyl-3-oxopiperazine-1-carboxamide
CID 53017587
4-[(2,2-dimethyl-3-oxopiperazine-1-carbonyl)amino]butanoic acid
CID 55217098
3-(2,2-dimethyl-3-oxopiperazin-1-yl)-3-oxopropanoic acid
CID 63600580
2,2-dimethyl-3-oxo-N-propylpiperazine-1-carboxamide
CID 63606570
4-(2-chlorobenzoyl)-3,3-dimethylpiperazin-2-one
CID 63362538
3,3-dimethyl-4-(3-phenyl-2-sulfanylpropanoyl)piperazin-2-one
CID 107029793
4-[(4S)-4-amino-4-phenylbutanoyl]-3,3-dimethylpiperazin-2-one
CID 124555736
3,3-dimethyl-4-[3-(2-methylphenyl)propanoyl]piperazin-2-one
CID 63605872
4-(4-benzylbenzoyl)-3,3-dimethylpiperazin-2-one
CID 16863809
4-[4-(benzenesulfonyl)butanoyl]-3,3-dimethylpiperazin-2-one
CID 16863880

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-oxo-N-phenylpiperazine-1-carboxamide?
The IUPAC name of 2,2-dimethyl-3-oxo-N-phenylpiperazine-1-carboxamide (CID 53017589) is 2,2-dimethyl-3-oxo-N-phenylpiperazine-1-carboxamide.
What is the SMILES notation for 2,2-dimethyl-3-oxo-N-phenylpiperazine-1-carboxamide?
The canonical SMILES for 2,2-dimethyl-3-oxo-N-phenylpiperazine-1-carboxamide is CC1(C)C(=O)NCCN1C(=O)Nc1ccccc1.
What is the InChIKey of 2,2-dimethyl-3-oxo-N-phenylpiperazine-1-carboxamide?
The InChIKey is FEDXVRSYUXIILZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-13(2)11(17)14-8-9-16(13)12(18)15-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H,14,17)(H,15,18).
What are the key properties of 2,2-dimethyl-3-oxo-N-phenylpiperazine-1-carboxamide?
2,2-dimethyl-3-oxo-N-phenylpiperazine-1-carboxamide has a molecular weight of 247.30 g/mol, XLogP of 1.43, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-oxo-N-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 53017589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).