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

C22H27N3O2 — CID 17256771

IUPAC2-methyl-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]butanamide
SMILESCCC(C)C(=O)Nc1ccccc1C(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C22H27N3O2/c1-3-17(2)21(26)23-20-12-8-7-11-19(20)22(27)25-15-13-24(14-16-25)18-9-5-4-6-10-18/h4-12,17H,3,13-16H2,1-2H3,(H,23,26)
InChIKeyVNXJCVDOXAMXTH-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.63
Rot. Bonds5

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

2-methyl-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]butanamide (PubChem CID 17256771) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 2-methyl-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]butanamide.

Molecular Properties

Compound Name2-methyl-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]butanamide
PubChem CID17256771
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name2-methyl-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]butanamide
SMILESCCC(C)C(=O)Nc1ccccc1C(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C22H27N3O2/c1-3-17(2)21(26)23-20-12-8-7-11-19(20)22(27)25-15-13-24(14-16-25)18-9-5-4-6-10-18/h4-12,17H,3,13-16H2,1-2H3,(H,23,26)
InChIKeyVNXJCVDOXAMXTH-UHFFFAOYSA-N
XLogP3.63
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]butanamide
CID 4316622
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
2-phenoxy-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]acetamide
CID 17018898
3-methyl-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]benzamide;hydrochloride
CID 171151506
N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]cyclohexanecarboxamide
CID 2988050
N-[[1-[2-(2-methylbutanoylamino)benzoyl]piperidin-4-yl]methyl]cyclobutanecarboxamide
CID 131907011
(1R,6R)-6-[[2-(4-phenylpiperazine-1-carbonyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 981987
(1S,6S)-6-[[2-(4-phenylpiperazine-1-carbonyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 981989
2-methyl-N-[2-(3-pyridin-4-ylazetidine-1-carbonyl)phenyl]butanamide
CID 131889049
2-(4-methylphenyl)sulfonyl-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]acetamide
CID 17309535

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]butanamide?
The IUPAC name of 2-methyl-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]butanamide (CID 17256771) is 2-methyl-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]butanamide.
What is the SMILES notation for 2-methyl-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]butanamide?
The canonical SMILES for 2-methyl-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]butanamide is CCC(C)C(=O)Nc1ccccc1C(=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 2-methyl-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]butanamide?
The InChIKey is VNXJCVDOXAMXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-3-17(2)21(26)23-20-12-8-7-11-19(20)22(27)25-15-13-24(14-16-25)18-9-5-4-6-10-18/h4-12,17H,3,13-16H2,1-2H3,(H,23,26).
What are the key properties of 2-methyl-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]butanamide?
2-methyl-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]butanamide has a molecular weight of 365.48 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]butanamide is sourced from PubChem (CID 17256771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).