4-tert-butyl-N-[[4-(hydrazinecarbonyl)phenyl]methyl]-N-phenylpiperazine-1-carboxamide

C23H31N5O2 — CID 134584094

IUPAC4-tert-butyl-N-[[4-(hydrazinecarbonyl)phenyl]methyl]-N-phenylpiperazine-1-carboxamide
SMILESCC(C)(C)N1CCN(C(=O)N(Cc2ccc(C(=O)NN)cc2)c2ccccc2)CC1
InChIInChI=1S/C23H31N5O2/c1-23(2,3)27-15-13-26(14-16-27)22(30)28(20-7-5-4-6-8-20)17-18-9-11-19(12-10-18)21(29)25-24/h4-12H,13-17,24H2,1-3H3,(H,25,29)
InChIKeySKTPKTDHRILNLR-UHFFFAOYSA-N
MW409.53 g/mol
LogP2.83
Rot. Bonds4

About 4-tert-butyl-N-[[4-(hydrazinecarbonyl)phenyl]methyl]-N-phenylpiperazine-1-carboxamide

4-tert-butyl-N-[[4-(hydrazinecarbonyl)phenyl]methyl]-N-phenylpiperazine-1-carboxamide (PubChem CID 134584094) has the molecular formula C23H31N5O2 and a molecular weight of 409.53 g/mol. Its IUPAC name is 4-tert-butyl-N-[[4-(hydrazinecarbonyl)phenyl]methyl]-N-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-tert-butyl-N-[[4-(hydrazinecarbonyl)phenyl]methyl]-N-phenylpiperazine-1-carboxamide
PubChem CID134584094
Molecular FormulaC23H31N5O2
Molecular Weight409.53 g/mol
Exact Mass409.25
IUPAC Name4-tert-butyl-N-[[4-(hydrazinecarbonyl)phenyl]methyl]-N-phenylpiperazine-1-carboxamide
SMILESCC(C)(C)N1CCN(C(=O)N(Cc2ccc(C(=O)NN)cc2)c2ccccc2)CC1
InChIInChI=1S/C23H31N5O2/c1-23(2,3)27-15-13-26(14-16-27)22(30)28(20-7-5-4-6-8-20)17-18-9-11-19(12-10-18)21(29)25-24/h4-12H,13-17,24H2,1-3H3,(H,25,29)
InChIKeySKTPKTDHRILNLR-UHFFFAOYSA-N
XLogP2.83
TPSA81.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 52.83
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

N-[[4-(hydrazinecarbonyl)phenyl]methyl]-N-phenylpiperazine-1-carboxamide
CID 134584488
[4-(hydrazinecarbonyl)phenyl]methyl-phenylcarbamic acid
CID 134584304
methyl 4-[(N-(4-ethylpiperazine-1-carbonyl)anilino)methyl]benzoate
CID 134584602
methyl 4-[(N-(4,4-difluoropiperidine-1-carbonyl)anilino)methyl]benzoate
CID 134584224
N-[[4-(2-aminoacetyl)phenyl]methyl]-N-phenylazetidine-1-carboxamide;methyl 4-[[N-(azetidine-1-carbonyl)anilino]methyl]benzoate
CID 160602978
1-tert-butyl-N-[[2-fluoro-4-(hydrazinecarbonyl)phenyl]methyl]-N-phenylpiperidine-4-carboxamide
CID 162219998
3-benzyl-1-[[4-(hydrazinecarbonyl)phenyl]methyl]-1-phenylurea
CID 140895002
methyl 4-[(N-(4-acetyl-1,4-diazepane-1-carbonyl)anilino)methyl]benzoate;methyl 4-(anilinomethyl)benzoate
CID 159214517
N-[[2-chloro-4-(hydrazinecarbonyl)phenyl]methyl]-N-phenylthiomorpholine-4-carboxamide
CID 151025862
N-[[4-[[(2,2-difluoroacetyl)amino]carbamoyl]phenyl]methyl]-N-phenylmorpholine-4-carboxamide
CID 140894353
N-[[4-(hydrazinecarbonyl)phenyl]methyl]-N-phenylpyridine-4-carboxamide
CID 126544270
N-[[4-(hydrazinecarbonyl)phenyl]methyl]-N-(4-pyridin-3-ylphenyl)thiomorpholine-4-carboxamide
CID 163641418

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[[4-(hydrazinecarbonyl)phenyl]methyl]-N-phenylpiperazine-1-carboxamide?
The IUPAC name of 4-tert-butyl-N-[[4-(hydrazinecarbonyl)phenyl]methyl]-N-phenylpiperazine-1-carboxamide (CID 134584094) is 4-tert-butyl-N-[[4-(hydrazinecarbonyl)phenyl]methyl]-N-phenylpiperazine-1-carboxamide.
What is the SMILES notation for 4-tert-butyl-N-[[4-(hydrazinecarbonyl)phenyl]methyl]-N-phenylpiperazine-1-carboxamide?
The canonical SMILES for 4-tert-butyl-N-[[4-(hydrazinecarbonyl)phenyl]methyl]-N-phenylpiperazine-1-carboxamide is CC(C)(C)N1CCN(C(=O)N(Cc2ccc(C(=O)NN)cc2)c2ccccc2)CC1.
What is the InChIKey of 4-tert-butyl-N-[[4-(hydrazinecarbonyl)phenyl]methyl]-N-phenylpiperazine-1-carboxamide?
The InChIKey is SKTPKTDHRILNLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O2/c1-23(2,3)27-15-13-26(14-16-27)22(30)28(20-7-5-4-6-8-20)17-18-9-11-19(12-10-18)21(29)25-24/h4-12H,13-17,24H2,1-3H3,(H,25,29).
What are the key properties of 4-tert-butyl-N-[[4-(hydrazinecarbonyl)phenyl]methyl]-N-phenylpiperazine-1-carboxamide?
4-tert-butyl-N-[[4-(hydrazinecarbonyl)phenyl]methyl]-N-phenylpiperazine-1-carboxamide has a molecular weight of 409.53 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[[4-(hydrazinecarbonyl)phenyl]methyl]-N-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 134584094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).