1-(2-methylpropyl)-N'-(4-methylquinolin-2-yl)piperidine-4-carbohydrazide

C20H28N4O — CID 166378583

IUPAC1-(2-methylpropyl)-N'-(4-methylquinolin-2-yl)piperidine-4-carbohydrazide
SMILESCc1cc(NNC(=O)C2CCN(CC(C)C)CC2)nc2ccccc12
InChIInChI=1S/C20H28N4O/c1-14(2)13-24-10-8-16(9-11-24)20(25)23-22-19-12-15(3)17-6-4-5-7-18(17)21-19/h4-7,12,14,16H,8-11,13H2,1-3H3,(H,21,22)(H,23,25)
InChIKeyBYMWLMABWDCOBU-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.35
Rot. Bonds5

About 1-(2-methylpropyl)-N'-(4-methylquinolin-2-yl)piperidine-4-carbohydrazide

1-(2-methylpropyl)-N'-(4-methylquinolin-2-yl)piperidine-4-carbohydrazide (PubChem CID 166378583) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is 1-(2-methylpropyl)-N'-(4-methylquinolin-2-yl)piperidine-4-carbohydrazide.

Molecular Properties

Compound Name1-(2-methylpropyl)-N'-(4-methylquinolin-2-yl)piperidine-4-carbohydrazide
PubChem CID166378583
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC Name1-(2-methylpropyl)-N'-(4-methylquinolin-2-yl)piperidine-4-carbohydrazide
SMILESCc1cc(NNC(=O)C2CCN(CC(C)C)CC2)nc2ccccc12
InChIInChI=1S/C20H28N4O/c1-14(2)13-24-10-8-16(9-11-24)20(25)23-22-19-12-15(3)17-6-4-5-7-18(17)21-19/h4-7,12,14,16H,8-11,13H2,1-3H3,(H,21,22)(H,23,25)
InChIKeyBYMWLMABWDCOBU-UHFFFAOYSA-N
XLogP3.35
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-isoquinolin-3-yl-1-(2-methylpropyl)piperidine-4-carboxamide
CID 166280089
2-[4-[(4-methylquinolin-2-yl)amino]piperidin-1-yl]-N-phenylacetamide
CID 134006987
(3S)-1-(2-methylpropyl)-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 174863774
ethyl 2-[(4-methylquinolin-2-yl)amino]propanoate
CID 102436665
1-(4-methylquinolin-2-yl)-N-pyrimidin-2-ylpiperidine-4-carboxamide
CID 75479378
1-(2-methylpropyl)-N-[(6S)-3-phenyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]piperidine-4-carboxamide
CID 97342736
(2R)-2-[[1-(2-methylpropyl)pyrrolidine-3-carbonyl]amino]-2-phenylacetic acid
CID 119367932
N-[1-(4-methylquinolin-2-yl)piperidin-3-yl]cyclopropanecarboxamide
CID 155974621
1-(2,2-diphenylethyl)-N-hydroxypiperidine-4-carboxamide
CID 155146350
N-[[(4S)-1-methyl-3,4-dihydro-2H-quinolin-4-yl]methyl]-1-(2-methylpropyl)piperidine-4-carboxamide
CID 94637916
N-methyl-1-(4-methylquinolin-2-yl)piperidine-3-carboxamide
CID 166605152
N-[(3-methoxyphenyl)methyl]-1-(2-methylpropyl)piperidine-4-carboxamide
CID 47067999

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-N'-(4-methylquinolin-2-yl)piperidine-4-carbohydrazide?
The IUPAC name of 1-(2-methylpropyl)-N'-(4-methylquinolin-2-yl)piperidine-4-carbohydrazide (CID 166378583) is 1-(2-methylpropyl)-N'-(4-methylquinolin-2-yl)piperidine-4-carbohydrazide.
What is the SMILES notation for 1-(2-methylpropyl)-N'-(4-methylquinolin-2-yl)piperidine-4-carbohydrazide?
The canonical SMILES for 1-(2-methylpropyl)-N'-(4-methylquinolin-2-yl)piperidine-4-carbohydrazide is Cc1cc(NNC(=O)C2CCN(CC(C)C)CC2)nc2ccccc12.
What is the InChIKey of 1-(2-methylpropyl)-N'-(4-methylquinolin-2-yl)piperidine-4-carbohydrazide?
The InChIKey is BYMWLMABWDCOBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-14(2)13-24-10-8-16(9-11-24)20(25)23-22-19-12-15(3)17-6-4-5-7-18(17)21-19/h4-7,12,14,16H,8-11,13H2,1-3H3,(H,21,22)(H,23,25).
What are the key properties of 1-(2-methylpropyl)-N'-(4-methylquinolin-2-yl)piperidine-4-carbohydrazide?
1-(2-methylpropyl)-N'-(4-methylquinolin-2-yl)piperidine-4-carbohydrazide has a molecular weight of 340.47 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-N'-(4-methylquinolin-2-yl)piperidine-4-carbohydrazide is sourced from PubChem (CID 166378583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).