1-methyl-N'-[1-(2-nitrophenyl)piperidine-4-carbonyl]indole-3-carbohydrazide

C22H23N5O4 — CID 40717460

IUPAC1-methyl-N'-[1-(2-nitrophenyl)piperidine-4-carbonyl]indole-3-carbohydrazide
SMILESCn1cc(C(=O)NNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c2ccccc21
InChIInChI=1S/C22H23N5O4/c1-25-14-17(16-6-2-3-7-18(16)25)22(29)24-23-21(28)15-10-12-26(13-11-15)19-8-4-5-9-20(19)27(30)31/h2-9,14-15H,10-13H2,1H3,(H,23,28)(H,24,29)
InChIKeyVKOLURRWWKCEMQ-UHFFFAOYSA-N
MW421.46 g/mol
LogP2.76
Rot. Bonds4

About 1-methyl-N'-[1-(2-nitrophenyl)piperidine-4-carbonyl]indole-3-carbohydrazide

1-methyl-N'-[1-(2-nitrophenyl)piperidine-4-carbonyl]indole-3-carbohydrazide (PubChem CID 40717460) has the molecular formula C22H23N5O4 and a molecular weight of 421.46 g/mol. Its IUPAC name is 1-methyl-N'-[1-(2-nitrophenyl)piperidine-4-carbonyl]indole-3-carbohydrazide.

Molecular Properties

Compound Name1-methyl-N'-[1-(2-nitrophenyl)piperidine-4-carbonyl]indole-3-carbohydrazide
PubChem CID40717460
Molecular FormulaC22H23N5O4
Molecular Weight421.46 g/mol
Exact Mass421.18
IUPAC Name1-methyl-N'-[1-(2-nitrophenyl)piperidine-4-carbonyl]indole-3-carbohydrazide
SMILESCn1cc(C(=O)NNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c2ccccc21
InChIInChI=1S/C22H23N5O4/c1-25-14-17(16-6-2-3-7-18(16)25)22(29)24-23-21(28)15-10-12-26(13-11-15)19-8-4-5-9-20(19)27(30)31/h2-9,14-15H,10-13H2,1H3,(H,23,28)(H,24,29)
InChIKeyVKOLURRWWKCEMQ-UHFFFAOYSA-N
XLogP2.76
TPSA109.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.46
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N'-(2,4-dimethylbenzoyl)-1-(2-nitrophenyl)piperidine-4-carbohydrazide
CID 9271540
N-(4-methylpiperazin-1-yl)-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 9205519
N-[(2R)-3-methylbutan-2-yl]-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 40809904
[1-(2-nitrophenyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 27670338
N-(2-methoxyethyl)-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 27659238
azetidin-1-yl-[1-(2-nitrophenyl)piperidin-4-yl]methanone
CID 78803930
N-(3-acetamidophenyl)-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 26114451
1-(2-nitrophenyl)-N-(2-phenylpyrimidin-5-yl)piperidine-4-carboxamide
CID 134009397
1-methyl-N'-(1-pyrimidin-2-ylpiperidine-3-carbonyl)indole-3-carbohydrazide
CID 134034978
N-(4-iodophenyl)-1-(2-nitrophenyl)piperidine-4-carboxamide
CID 17494985
1-methyl-N-(2-pyrrolidin-1-ylphenyl)indole-3-carboxamide
CID 35358555
1-(2-nitrophenyl)-N-quinolin-2-ylpiperidine-4-carboxamide
CID 55367657

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N'-[1-(2-nitrophenyl)piperidine-4-carbonyl]indole-3-carbohydrazide?
The IUPAC name of 1-methyl-N'-[1-(2-nitrophenyl)piperidine-4-carbonyl]indole-3-carbohydrazide (CID 40717460) is 1-methyl-N'-[1-(2-nitrophenyl)piperidine-4-carbonyl]indole-3-carbohydrazide.
What is the SMILES notation for 1-methyl-N'-[1-(2-nitrophenyl)piperidine-4-carbonyl]indole-3-carbohydrazide?
The canonical SMILES for 1-methyl-N'-[1-(2-nitrophenyl)piperidine-4-carbonyl]indole-3-carbohydrazide is Cn1cc(C(=O)NNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c2ccccc21.
What is the InChIKey of 1-methyl-N'-[1-(2-nitrophenyl)piperidine-4-carbonyl]indole-3-carbohydrazide?
The InChIKey is VKOLURRWWKCEMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O4/c1-25-14-17(16-6-2-3-7-18(16)25)22(29)24-23-21(28)15-10-12-26(13-11-15)19-8-4-5-9-20(19)27(30)31/h2-9,14-15H,10-13H2,1H3,(H,23,28)(H,24,29).
What are the key properties of 1-methyl-N'-[1-(2-nitrophenyl)piperidine-4-carbonyl]indole-3-carbohydrazide?
1-methyl-N'-[1-(2-nitrophenyl)piperidine-4-carbonyl]indole-3-carbohydrazide has a molecular weight of 421.46 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N'-[1-(2-nitrophenyl)piperidine-4-carbonyl]indole-3-carbohydrazide is sourced from PubChem (CID 40717460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).