2-methylidene-3-(4-phenylpiperazin-1-yl)butanamide

C15H21N3O — CID 174726722

IUPAC2-methylidene-3-(4-phenylpiperazin-1-yl)butanamide
SMILESC=C(C(N)=O)C(C)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C15H21N3O/c1-12(15(16)19)13(2)17-8-10-18(11-9-17)14-6-4-3-5-7-14/h3-7,13H,1,8-11H2,2H3,(H2,16,19)
InChIKeyRVKVSASDRMMUKC-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.24
Rot. Bonds4

About 2-methylidene-3-(4-phenylpiperazin-1-yl)butanamide

2-methylidene-3-(4-phenylpiperazin-1-yl)butanamide (PubChem CID 174726722) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-methylidene-3-(4-phenylpiperazin-1-yl)butanamide.

Molecular Properties

Compound Name2-methylidene-3-(4-phenylpiperazin-1-yl)butanamide
PubChem CID174726722
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2-methylidene-3-(4-phenylpiperazin-1-yl)butanamide
SMILESC=C(C(N)=O)C(C)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C15H21N3O/c1-12(15(16)19)13(2)17-8-10-18(11-9-17)14-6-4-3-5-7-14/h3-7,13H,1,8-11H2,2H3,(H2,16,19)
InChIKeyRVKVSASDRMMUKC-UHFFFAOYSA-N
XLogP1.24
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2R)-1,2-bis(4-phenylpiperazin-1-yl)propan-1-one
CID 9250288
(2R)-2-(4-acetylpiperazin-1-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 9276559
(2R)-N-[(1S)-1-phenylethyl]-2-(4-phenylpiperazin-1-yl)propanamide
CID 40940116
(3R)-1-[(2S)-2-(4-phenylpiperazin-1-yl)propanoyl]piperidine-3-carboxamide
CID 32735224
(2R)-N-[(2R)-2-cyano-3-methylbutan-2-yl]-2-(4-phenylpiperazin-1-yl)propanamide
CID 41084376
(2R)-3-methyl-2-(4-phenylpiperazin-1-yl)butanehydrazide
CID 30403786
N-benzyl-N-methyl-2-(4-phenylpiperazin-1-yl)propanamide
CID 42858943
(2S)-2-(4-phenylpiperazin-1-yl)-N-(2-propan-2-ylphenyl)propanamide
CID 9250174
1-(4-phenylpiperazin-1-yl)propane-1,2-diol
CID 18784131
methyl 2-methoxy-2-(4-phenylpiperazin-1-yl)acetate
CID 102038565
1-(2,3-dihydroindol-1-yl)-2-(4-phenylpiperazin-1-yl)propan-1-one
CID 4818334
N-(4-chlorophenyl)-2-(4-phenylpiperazin-1-yl)propanamide
CID 18078421

Frequently Asked Questions

What is the IUPAC name of 2-methylidene-3-(4-phenylpiperazin-1-yl)butanamide?
The IUPAC name of 2-methylidene-3-(4-phenylpiperazin-1-yl)butanamide (CID 174726722) is 2-methylidene-3-(4-phenylpiperazin-1-yl)butanamide.
What is the SMILES notation for 2-methylidene-3-(4-phenylpiperazin-1-yl)butanamide?
The canonical SMILES for 2-methylidene-3-(4-phenylpiperazin-1-yl)butanamide is C=C(C(N)=O)C(C)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 2-methylidene-3-(4-phenylpiperazin-1-yl)butanamide?
The InChIKey is RVKVSASDRMMUKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-12(15(16)19)13(2)17-8-10-18(11-9-17)14-6-4-3-5-7-14/h3-7,13H,1,8-11H2,2H3,(H2,16,19).
What are the key properties of 2-methylidene-3-(4-phenylpiperazin-1-yl)butanamide?
2-methylidene-3-(4-phenylpiperazin-1-yl)butanamide has a molecular weight of 259.35 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-3-(4-phenylpiperazin-1-yl)butanamide is sourced from PubChem (CID 174726722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).