2,2-dimethyl-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]butanamide

C23H29N3O2 — CID 4316622

IUPAC2,2-dimethyl-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]butanamide
SMILESCCC(C)(C)C(=O)Nc1ccccc1C(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C23H29N3O2/c1-4-23(2,3)22(28)24-20-13-9-8-12-19(20)21(27)26-16-14-25(15-17-26)18-10-6-5-7-11-18/h5-13H,4,14-17H2,1-3H3,(H,24,28)
InChIKeySBGMPOFXQXBCQS-UHFFFAOYSA-N
MW379.50 g/mol
LogP4.02
Rot. Bonds5

About 2,2-dimethyl-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]butanamide

2,2-dimethyl-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]butanamide (PubChem CID 4316622) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]butanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]butanamide
PubChem CID4316622
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name2,2-dimethyl-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]butanamide
SMILESCCC(C)(C)C(=O)Nc1ccccc1C(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C23H29N3O2/c1-4-23(2,3)22(28)24-20-13-9-8-12-19(20)21(27)26-16-14-25(15-17-26)18-10-6-5-7-11-18/h5-13H,4,14-17H2,1-3H3,(H,24,28)
InChIKeySBGMPOFXQXBCQS-UHFFFAOYSA-N
XLogP4.02
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]butanamide
CID 17256771
2-ethoxy-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]benzamide
CID 17256713
N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]-2-phenylsulfanylacetamide
CID 2956631
2-fluoro-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]benzamide
CID 4309952
(1S,6S)-6-[[2-(4-phenylpiperazine-1-carbonyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 981989
(1R,6R)-6-[[2-(4-phenylpiperazine-1-carbonyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 981987
2-phenoxy-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]acetamide
CID 17018898
ethyl 4-[2-[(2,2,2-trichloroacetyl)amino]benzoyl]piperazine-1-carboxylate
CID 17311910
N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]cyclohexanecarboxamide
CID 2988050
2-(2,2-dimethylbutanoylamino)benzamide
CID 3914045
3-methyl-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]benzamide;hydrochloride
CID 171151506
2-(4-methylphenyl)sulfonyl-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]acetamide
CID 17309535

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]butanamide?
The IUPAC name of 2,2-dimethyl-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]butanamide (CID 4316622) is 2,2-dimethyl-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]butanamide.
What is the SMILES notation for 2,2-dimethyl-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]butanamide?
The canonical SMILES for 2,2-dimethyl-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]butanamide is CCC(C)(C)C(=O)Nc1ccccc1C(=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 2,2-dimethyl-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]butanamide?
The InChIKey is SBGMPOFXQXBCQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-4-23(2,3)22(28)24-20-13-9-8-12-19(20)21(27)26-16-14-25(15-17-26)18-10-6-5-7-11-18/h5-13H,4,14-17H2,1-3H3,(H,24,28).
What are the key properties of 2,2-dimethyl-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]butanamide?
2,2-dimethyl-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]butanamide has a molecular weight of 379.50 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]butanamide is sourced from PubChem (CID 4316622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).