N'-(4-bromo-1-methylpyrrole-2-carbonyl)-1-(2-methylpropanoyl)piperidine-4-carbohydrazide

C16H23BrN4O3 — CID 32814392

IUPACN'-(4-bromo-1-methylpyrrole-2-carbonyl)-1-(2-methylpropanoyl)piperidine-4-carbohydrazide
SMILESCC(C)C(=O)N1CCC(C(=O)NNC(=O)c2cc(Br)cn2C)CC1
InChIInChI=1S/C16H23BrN4O3/c1-10(2)16(24)21-6-4-11(5-7-21)14(22)18-19-15(23)13-8-12(17)9-20(13)3/h8-11H,4-7H2,1-3H3,(H,18,22)(H,19,23)
InChIKeyLTCQIVLIRVUULK-UHFFFAOYSA-N
MW399.29 g/mol
LogP1.44
Rot. Bonds3

About N'-(4-bromo-1-methylpyrrole-2-carbonyl)-1-(2-methylpropanoyl)piperidine-4-carbohydrazide

N'-(4-bromo-1-methylpyrrole-2-carbonyl)-1-(2-methylpropanoyl)piperidine-4-carbohydrazide (PubChem CID 32814392) has the molecular formula C16H23BrN4O3 and a molecular weight of 399.29 g/mol. Its IUPAC name is N'-(4-bromo-1-methylpyrrole-2-carbonyl)-1-(2-methylpropanoyl)piperidine-4-carbohydrazide.

Molecular Properties

Compound NameN'-(4-bromo-1-methylpyrrole-2-carbonyl)-1-(2-methylpropanoyl)piperidine-4-carbohydrazide
PubChem CID32814392
Molecular FormulaC16H23BrN4O3
Molecular Weight399.29 g/mol
Exact Mass398.10
IUPAC NameN'-(4-bromo-1-methylpyrrole-2-carbonyl)-1-(2-methylpropanoyl)piperidine-4-carbohydrazide
SMILESCC(C)C(=O)N1CCC(C(=O)NNC(=O)c2cc(Br)cn2C)CC1
InChIInChI=1S/C16H23BrN4O3/c1-10(2)16(24)21-6-4-11(5-7-21)14(22)18-19-15(23)13-8-12(17)9-20(13)3/h8-11H,4-7H2,1-3H3,(H,18,22)(H,19,23)
InChIKeyLTCQIVLIRVUULK-UHFFFAOYSA-N
XLogP1.44
TPSA83.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.29
LogP ≤ 51.44
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'-(4-bromo-1-methylpyrrole-2-carbonyl)-1-(thiophene-2-carbonyl)piperidine-4-carbohydrazide
CID 18228534
N'-(adamantane-2-carbonyl)-4-bromo-1-methylpyrrole-2-carbohydrazide
CID 51313858
4-bromo-N'-[1-(cyclohexanecarbonyl)pyrrolidine-2-carbonyl]-1-methylpyrrole-2-carbohydrazide
CID 55738672
(4-bromo-1-methylpyrrol-2-yl)-[4-[(1S)-1-hydroxyethyl]piperidin-1-yl]methanone
CID 96565183
4-bromo-1-methyl-N'-(2-methylbutanoyl)pyrrole-2-carbohydrazide
CID 42938791
N-(3-bromophenyl)-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 31693337
4-chloro-N'-(cyclobutanecarbonyl)-1-methylpyrrole-2-carbohydrazide
CID 42573577
4-bromo-N'-(4-fluorobenzoyl)-1-methylpyrrole-2-carbohydrazide
CID 27036737
4-bromo-1-methyl-N'-[4-(2-oxopiperidin-1-yl)benzoyl]pyrrole-2-carbohydrazide
CID 24533060
2-[(4-bromo-1-methylpyrrole-2-carbonyl)amino]-2-cyclopropylacetic acid
CID 62696089
1-(2-methylpropanoyl)-N-(2,4,6-trimethylphenyl)piperidine-4-carboxamide
CID 31697184
1-(4-bromo-1-cyclopropylpyrrole-2-carbonyl)-N-methylpiperidine-4-carboxamide
CID 60954913

Frequently Asked Questions

What is the IUPAC name of N'-(4-bromo-1-methylpyrrole-2-carbonyl)-1-(2-methylpropanoyl)piperidine-4-carbohydrazide?
The IUPAC name of N'-(4-bromo-1-methylpyrrole-2-carbonyl)-1-(2-methylpropanoyl)piperidine-4-carbohydrazide (CID 32814392) is N'-(4-bromo-1-methylpyrrole-2-carbonyl)-1-(2-methylpropanoyl)piperidine-4-carbohydrazide.
What is the SMILES notation for N'-(4-bromo-1-methylpyrrole-2-carbonyl)-1-(2-methylpropanoyl)piperidine-4-carbohydrazide?
The canonical SMILES for N'-(4-bromo-1-methylpyrrole-2-carbonyl)-1-(2-methylpropanoyl)piperidine-4-carbohydrazide is CC(C)C(=O)N1CCC(C(=O)NNC(=O)c2cc(Br)cn2C)CC1.
What is the InChIKey of N'-(4-bromo-1-methylpyrrole-2-carbonyl)-1-(2-methylpropanoyl)piperidine-4-carbohydrazide?
The InChIKey is LTCQIVLIRVUULK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN4O3/c1-10(2)16(24)21-6-4-11(5-7-21)14(22)18-19-15(23)13-8-12(17)9-20(13)3/h8-11H,4-7H2,1-3H3,(H,18,22)(H,19,23).
What are the key properties of N'-(4-bromo-1-methylpyrrole-2-carbonyl)-1-(2-methylpropanoyl)piperidine-4-carbohydrazide?
N'-(4-bromo-1-methylpyrrole-2-carbonyl)-1-(2-methylpropanoyl)piperidine-4-carbohydrazide has a molecular weight of 399.29 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-bromo-1-methylpyrrole-2-carbonyl)-1-(2-methylpropanoyl)piperidine-4-carbohydrazide is sourced from PubChem (CID 32814392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).