(2R)-3-methyl-2-(4-phenylpiperazin-1-yl)butanehydrazide

C15H24N4O — CID 30403786

IUPAC(2R)-3-methyl-2-(4-phenylpiperazin-1-yl)butanehydrazide
SMILESCC(C)[C@H](C(=O)NN)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C15H24N4O/c1-12(2)14(15(20)17-16)19-10-8-18(9-11-19)13-6-4-3-5-7-13/h3-7,12,14H,8-11,16H2,1-2H3,(H,17,20)/t14-/m1/s1
InChIKeyLNUCNRPWPZKANU-CQSZACIVSA-N
MW276.38 g/mol
LogP0.82
Rot. Bonds4

About (2R)-3-methyl-2-(4-phenylpiperazin-1-yl)butanehydrazide

(2R)-3-methyl-2-(4-phenylpiperazin-1-yl)butanehydrazide (PubChem CID 30403786) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is (2R)-3-methyl-2-(4-phenylpiperazin-1-yl)butanehydrazide.

Molecular Properties

Compound Name(2R)-3-methyl-2-(4-phenylpiperazin-1-yl)butanehydrazide
PubChem CID30403786
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name(2R)-3-methyl-2-(4-phenylpiperazin-1-yl)butanehydrazide
SMILESCC(C)[C@H](C(=O)NN)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C15H24N4O/c1-12(2)14(15(20)17-16)19-10-8-18(9-11-19)13-6-4-3-5-7-13/h3-7,12,14H,8-11,16H2,1-2H3,(H,17,20)/t14-/m1/s1
InChIKeyLNUCNRPWPZKANU-CQSZACIVSA-N
XLogP0.82
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R)-3-methyl-2-morpholin-4-ylbutanehydrazide
CID 30403760
(2R)-N-[(1S)-1-phenylethyl]-2-(4-phenylpiperazin-1-yl)propanamide
CID 40940116
[(2R)-1-hydrazinyl-1-oxopropan-2-yl] 2-(4-phenylpiperazin-1-yl)acetate
CID 99906797
methyl 2-methoxy-2-(4-phenylpiperazin-1-yl)acetate
CID 102038565
(2R)-1,2-bis(4-phenylpiperazin-1-yl)propan-1-one
CID 9250288
2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-[2-(4-phenylpiperazin-1-yl)propyl]butanamide
CID 60553736
2-methylidene-3-(4-phenylpiperazin-1-yl)butanamide
CID 174726722
(2R)-2-(4-acetylpiperazin-1-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 9276559
(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
N-(4-chlorophenyl)-2-(4-phenylpiperazin-1-yl)propanamide
CID 18078421
2,2-dimethyl-3-(4-phenylpiperazin-1-yl)propanehydrazide
CID 79627852

Frequently Asked Questions

What is the IUPAC name of (2R)-3-methyl-2-(4-phenylpiperazin-1-yl)butanehydrazide?
The IUPAC name of (2R)-3-methyl-2-(4-phenylpiperazin-1-yl)butanehydrazide (CID 30403786) is (2R)-3-methyl-2-(4-phenylpiperazin-1-yl)butanehydrazide.
What is the SMILES notation for (2R)-3-methyl-2-(4-phenylpiperazin-1-yl)butanehydrazide?
The canonical SMILES for (2R)-3-methyl-2-(4-phenylpiperazin-1-yl)butanehydrazide is CC(C)[C@H](C(=O)NN)N1CCN(c2ccccc2)CC1.
What is the InChIKey of (2R)-3-methyl-2-(4-phenylpiperazin-1-yl)butanehydrazide?
The InChIKey is LNUCNRPWPZKANU-CQSZACIVSA-N. The full InChI is InChI=1S/C15H24N4O/c1-12(2)14(15(20)17-16)19-10-8-18(9-11-19)13-6-4-3-5-7-13/h3-7,12,14H,8-11,16H2,1-2H3,(H,17,20)/t14-/m1/s1.
What are the key properties of (2R)-3-methyl-2-(4-phenylpiperazin-1-yl)butanehydrazide?
(2R)-3-methyl-2-(4-phenylpiperazin-1-yl)butanehydrazide has a molecular weight of 276.38 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-methyl-2-(4-phenylpiperazin-1-yl)butanehydrazide is sourced from PubChem (CID 30403786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).