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

C19H23N5O2 — CID 134584488

IUPACN-[[4-(hydrazinecarbonyl)phenyl]methyl]-N-phenylpiperazine-1-carboxamide
SMILESNNC(=O)c1ccc(CN(C(=O)N2CCNCC2)c2ccccc2)cc1
InChIInChI=1S/C19H23N5O2/c20-22-18(25)16-8-6-15(7-9-16)14-24(17-4-2-1-3-5-17)19(26)23-12-10-21-11-13-23/h1-9,21H,10-14,20H2,(H,22,25)
InChIKeyMVHPEVWWDYYICS-UHFFFAOYSA-N
MW353.43 g/mol
LogP1.32
Rot. Bonds4

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

N-[[4-(hydrazinecarbonyl)phenyl]methyl]-N-phenylpiperazine-1-carboxamide (PubChem CID 134584488) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is N-[[4-(hydrazinecarbonyl)phenyl]methyl]-N-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[[4-(hydrazinecarbonyl)phenyl]methyl]-N-phenylpiperazine-1-carboxamide
PubChem CID134584488
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC NameN-[[4-(hydrazinecarbonyl)phenyl]methyl]-N-phenylpiperazine-1-carboxamide
SMILESNNC(=O)c1ccc(CN(C(=O)N2CCNCC2)c2ccccc2)cc1
InChIInChI=1S/C19H23N5O2/c20-22-18(25)16-8-6-15(7-9-16)14-24(17-4-2-1-3-5-17)19(26)23-12-10-21-11-13-23/h1-9,21H,10-14,20H2,(H,22,25)
InChIKeyMVHPEVWWDYYICS-UHFFFAOYSA-N
XLogP1.32
TPSA90.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 51.32
H-Bond Donors ≤ 53
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

4-tert-butyl-N-[[4-(hydrazinecarbonyl)phenyl]methyl]-N-phenylpiperazine-1-carboxamide
CID 134584094
[4-(hydrazinecarbonyl)phenyl]methyl-phenylcarbamic acid
CID 134584304
4-[[3-chloro-N-(piperazine-1-carbonyl)anilino]methyl]benzoic acid
CID 134584439
N-[[2-chloro-4-(hydrazinecarbonyl)phenyl]methyl]-N-phenylthiomorpholine-4-carboxamide
CID 151025862
3-benzyl-1-[[4-(hydrazinecarbonyl)phenyl]methyl]-1-phenylurea
CID 140895002
methyl 4-[(N-(4-ethylpiperazine-1-carbonyl)anilino)methyl]benzoate
CID 134584602
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
methyl 4-[(N-(4,4-difluoropiperidine-1-carbonyl)anilino)methyl]benzoate
CID 134584224
N-[[2-fluoro-4-(hydrazinecarbonyl)phenyl]methyl]-N-phenylmorpholine-4-carboxamide
CID 140894690
N-[[4-(2-aminoacetyl)phenyl]methyl]-N-phenylazetidine-1-carboxamide;methyl 4-[[N-(azetidine-1-carbonyl)anilino]methyl]benzoate
CID 160602978

Frequently Asked Questions

What is the IUPAC name of N-[[4-(hydrazinecarbonyl)phenyl]methyl]-N-phenylpiperazine-1-carboxamide?
The IUPAC name of N-[[4-(hydrazinecarbonyl)phenyl]methyl]-N-phenylpiperazine-1-carboxamide (CID 134584488) is N-[[4-(hydrazinecarbonyl)phenyl]methyl]-N-phenylpiperazine-1-carboxamide.
What is the SMILES notation for N-[[4-(hydrazinecarbonyl)phenyl]methyl]-N-phenylpiperazine-1-carboxamide?
The canonical SMILES for N-[[4-(hydrazinecarbonyl)phenyl]methyl]-N-phenylpiperazine-1-carboxamide is NNC(=O)c1ccc(CN(C(=O)N2CCNCC2)c2ccccc2)cc1.
What is the InChIKey of N-[[4-(hydrazinecarbonyl)phenyl]methyl]-N-phenylpiperazine-1-carboxamide?
The InChIKey is MVHPEVWWDYYICS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c20-22-18(25)16-8-6-15(7-9-16)14-24(17-4-2-1-3-5-17)19(26)23-12-10-21-11-13-23/h1-9,21H,10-14,20H2,(H,22,25).
What are the key properties of N-[[4-(hydrazinecarbonyl)phenyl]methyl]-N-phenylpiperazine-1-carboxamide?
N-[[4-(hydrazinecarbonyl)phenyl]methyl]-N-phenylpiperazine-1-carboxamide has a molecular weight of 353.43 g/mol, XLogP of 1.32, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(hydrazinecarbonyl)phenyl]methyl]-N-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 134584488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).