1-(2,2-dimethylpropanoyl)-N'-[2-(4-methylanilino)acetyl]piperidine-4-carbohydrazide

C20H30N4O3 — CID 18140177

IUPAC1-(2,2-dimethylpropanoyl)-N'-[2-(4-methylanilino)acetyl]piperidine-4-carbohydrazide
SMILESCc1ccc(NCC(=O)NNC(=O)C2CCN(C(=O)C(C)(C)C)CC2)cc1
InChIInChI=1S/C20H30N4O3/c1-14-5-7-16(8-6-14)21-13-17(25)22-23-18(26)15-9-11-24(12-10-15)19(27)20(2,3)4/h5-8,15,21H,9-13H2,1-4H3,(H,22,25)(H,23,26)
InChIKeyVZPNFXPAWYMMTH-UHFFFAOYSA-N
MW374.49 g/mol
LogP1.84
Rot. Bonds4

About 1-(2,2-dimethylpropanoyl)-N'-[2-(4-methylanilino)acetyl]piperidine-4-carbohydrazide

1-(2,2-dimethylpropanoyl)-N'-[2-(4-methylanilino)acetyl]piperidine-4-carbohydrazide (PubChem CID 18140177) has the molecular formula C20H30N4O3 and a molecular weight of 374.49 g/mol. Its IUPAC name is 1-(2,2-dimethylpropanoyl)-N'-[2-(4-methylanilino)acetyl]piperidine-4-carbohydrazide.

Molecular Properties

Compound Name1-(2,2-dimethylpropanoyl)-N'-[2-(4-methylanilino)acetyl]piperidine-4-carbohydrazide
PubChem CID18140177
Molecular FormulaC20H30N4O3
Molecular Weight374.49 g/mol
Exact Mass374.23
IUPAC Name1-(2,2-dimethylpropanoyl)-N'-[2-(4-methylanilino)acetyl]piperidine-4-carbohydrazide
SMILESCc1ccc(NCC(=O)NNC(=O)C2CCN(C(=O)C(C)(C)C)CC2)cc1
InChIInChI=1S/C20H30N4O3/c1-14-5-7-16(8-6-14)21-13-17(25)22-23-18(26)15-9-11-24(12-10-15)19(27)20(2,3)4/h5-8,15,21H,9-13H2,1-4H3,(H,22,25)(H,23,26)
InChIKeyVZPNFXPAWYMMTH-UHFFFAOYSA-N
XLogP1.84
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2,2-dimethylpropanoyl)-N-[1-(4-methylphenyl)propyl]piperidine-4-carboxamide
CID 134028904
N-(4-tert-butylphenyl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 27258911
2-cyclopentyl-N'-[2-(4-methylanilino)acetyl]acetohydrazide
CID 18140158
N-[4-(dimethylamino)phenyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 113008056
N'-[2-(4-methoxyanilino)acetyl]-1-(naphthalene-1-carbonyl)piperidine-4-carbohydrazide
CID 55430041
1-(2,2-dimethylpropanoyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 51297121
1-(2,2-dimethylpropanoyl)-N-(2-methylphenyl)piperidine-4-carboxamide
CID 17224372
N'-[2-(4-methoxyanilino)acetyl]-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carbohydrazide
CID 55497462
N'-[2-(4-methylanilino)acetyl]-1-(3-phenoxypropanoyl)piperidine-3-carbohydrazide
CID 56502988
benzyl 4-[(4-methylphenyl)carbamoyl]piperidine-1-carboxylate
CID 75365789
1-(2,2-dimethylpropanoyl)-N-(2-hydroxyphenyl)piperidine-4-carboxamide
CID 18126290
N-cyclopropyl-4-[2-[1-(2,2-dimethylpropanoyl)piperidine-4-carbonyl]hydrazinyl]benzenesulfonamide
CID 56502621

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropanoyl)-N'-[2-(4-methylanilino)acetyl]piperidine-4-carbohydrazide?
The IUPAC name of 1-(2,2-dimethylpropanoyl)-N'-[2-(4-methylanilino)acetyl]piperidine-4-carbohydrazide (CID 18140177) is 1-(2,2-dimethylpropanoyl)-N'-[2-(4-methylanilino)acetyl]piperidine-4-carbohydrazide.
What is the SMILES notation for 1-(2,2-dimethylpropanoyl)-N'-[2-(4-methylanilino)acetyl]piperidine-4-carbohydrazide?
The canonical SMILES for 1-(2,2-dimethylpropanoyl)-N'-[2-(4-methylanilino)acetyl]piperidine-4-carbohydrazide is Cc1ccc(NCC(=O)NNC(=O)C2CCN(C(=O)C(C)(C)C)CC2)cc1.
What is the InChIKey of 1-(2,2-dimethylpropanoyl)-N'-[2-(4-methylanilino)acetyl]piperidine-4-carbohydrazide?
The InChIKey is VZPNFXPAWYMMTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O3/c1-14-5-7-16(8-6-14)21-13-17(25)22-23-18(26)15-9-11-24(12-10-15)19(27)20(2,3)4/h5-8,15,21H,9-13H2,1-4H3,(H,22,25)(H,23,26).
What are the key properties of 1-(2,2-dimethylpropanoyl)-N'-[2-(4-methylanilino)acetyl]piperidine-4-carbohydrazide?
1-(2,2-dimethylpropanoyl)-N'-[2-(4-methylanilino)acetyl]piperidine-4-carbohydrazide has a molecular weight of 374.49 g/mol, XLogP of 1.84, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropanoyl)-N'-[2-(4-methylanilino)acetyl]piperidine-4-carbohydrazide is sourced from PubChem (CID 18140177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).