3-[4-(cyclopropylmethyl)piperazin-1-yl]-2,2-dimethylpropanehydrazide

C13H26N4O — CID 79631258

IUPAC3-[4-(cyclopropylmethyl)piperazin-1-yl]-2,2-dimethylpropanehydrazide
SMILESCC(C)(CN1CCN(CC2CC2)CC1)C(=O)NN
InChIInChI=1S/C13H26N4O/c1-13(2,12(18)15-14)10-17-7-5-16(6-8-17)9-11-3-4-11/h11H,3-10,14H2,1-2H3,(H,15,18)
InChIKeyKAQPNBRTBRMNKM-UHFFFAOYSA-N
MW254.38 g/mol
LogP0.03
Rot. Bonds5

About 3-[4-(cyclopropylmethyl)piperazin-1-yl]-2,2-dimethylpropanehydrazide

3-[4-(cyclopropylmethyl)piperazin-1-yl]-2,2-dimethylpropanehydrazide (PubChem CID 79631258) has the molecular formula C13H26N4O and a molecular weight of 254.38 g/mol. Its IUPAC name is 3-[4-(cyclopropylmethyl)piperazin-1-yl]-2,2-dimethylpropanehydrazide.

Molecular Properties

Compound Name3-[4-(cyclopropylmethyl)piperazin-1-yl]-2,2-dimethylpropanehydrazide
PubChem CID79631258
Molecular FormulaC13H26N4O
Molecular Weight254.38 g/mol
Exact Mass254.21
IUPAC Name3-[4-(cyclopropylmethyl)piperazin-1-yl]-2,2-dimethylpropanehydrazide
SMILESCC(C)(CN1CCN(CC2CC2)CC1)C(=O)NN
InChIInChI=1S/C13H26N4O/c1-13(2,12(18)15-14)10-17-7-5-16(6-8-17)9-11-3-4-11/h11H,3-10,14H2,1-2H3,(H,15,18)
InChIKeyKAQPNBRTBRMNKM-UHFFFAOYSA-N
XLogP0.03
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 50.03
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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Frequently Asked Questions

What is the IUPAC name of 3-[4-(cyclopropylmethyl)piperazin-1-yl]-2,2-dimethylpropanehydrazide?
The IUPAC name of 3-[4-(cyclopropylmethyl)piperazin-1-yl]-2,2-dimethylpropanehydrazide (CID 79631258) is 3-[4-(cyclopropylmethyl)piperazin-1-yl]-2,2-dimethylpropanehydrazide.
What is the SMILES notation for 3-[4-(cyclopropylmethyl)piperazin-1-yl]-2,2-dimethylpropanehydrazide?
The canonical SMILES for 3-[4-(cyclopropylmethyl)piperazin-1-yl]-2,2-dimethylpropanehydrazide is CC(C)(CN1CCN(CC2CC2)CC1)C(=O)NN.
What is the InChIKey of 3-[4-(cyclopropylmethyl)piperazin-1-yl]-2,2-dimethylpropanehydrazide?
The InChIKey is KAQPNBRTBRMNKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O/c1-13(2,12(18)15-14)10-17-7-5-16(6-8-17)9-11-3-4-11/h11H,3-10,14H2,1-2H3,(H,15,18).
What are the key properties of 3-[4-(cyclopropylmethyl)piperazin-1-yl]-2,2-dimethylpropanehydrazide?
3-[4-(cyclopropylmethyl)piperazin-1-yl]-2,2-dimethylpropanehydrazide has a molecular weight of 254.38 g/mol, XLogP of 0.03, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(cyclopropylmethyl)piperazin-1-yl]-2,2-dimethylpropanehydrazide is sourced from PubChem (CID 79631258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).