N'-(4,6-dimethylpyrimidin-2-yl)-1-(thiophene-2-carbonyl)piperidine-3-carbohydrazide

C17H21N5O2S — CID 46557972

IUPACN'-(4,6-dimethylpyrimidin-2-yl)-1-(thiophene-2-carbonyl)piperidine-3-carbohydrazide
SMILESCc1cc(C)nc(NNC(=O)C2CCCN(C(=O)c3cccs3)C2)n1
InChIInChI=1S/C17H21N5O2S/c1-11-9-12(2)19-17(18-11)21-20-15(23)13-5-3-7-22(10-13)16(24)14-6-4-8-25-14/h4,6,8-9,13H,3,5,7,10H2,1-2H3,(H,20,23)(H,18,19,21)
InChIKeyLOTVJZFNJVZKMW-UHFFFAOYSA-N
MW359.46 g/mol
LogP2.15
Rot. Bonds4

About N'-(4,6-dimethylpyrimidin-2-yl)-1-(thiophene-2-carbonyl)piperidine-3-carbohydrazide

N'-(4,6-dimethylpyrimidin-2-yl)-1-(thiophene-2-carbonyl)piperidine-3-carbohydrazide (PubChem CID 46557972) has the molecular formula C17H21N5O2S and a molecular weight of 359.46 g/mol. Its IUPAC name is N'-(4,6-dimethylpyrimidin-2-yl)-1-(thiophene-2-carbonyl)piperidine-3-carbohydrazide.

Molecular Properties

Compound NameN'-(4,6-dimethylpyrimidin-2-yl)-1-(thiophene-2-carbonyl)piperidine-3-carbohydrazide
PubChem CID46557972
Molecular FormulaC17H21N5O2S
Molecular Weight359.46 g/mol
Exact Mass359.14
IUPAC NameN'-(4,6-dimethylpyrimidin-2-yl)-1-(thiophene-2-carbonyl)piperidine-3-carbohydrazide
SMILESCc1cc(C)nc(NNC(=O)C2CCCN(C(=O)c3cccs3)C2)n1
InChIInChI=1S/C17H21N5O2S/c1-11-9-12(2)19-17(18-11)21-20-15(23)13-5-3-7-22(10-13)16(24)14-6-4-8-25-14/h4,6,8-9,13H,3,5,7,10H2,1-2H3,(H,20,23)(H,18,19,21)
InChIKeyLOTVJZFNJVZKMW-UHFFFAOYSA-N
XLogP2.15
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.46
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(3S)-N-(2,4-dimethylphenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 95160432
(3S)-N-propyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 39977852
(3S)-1-(thiophene-2-carbonyl)-N'-[2-(trifluoromethyl)phenyl]piperidine-3-carbohydrazide
CID 39982573
(3R)-1-(thiophene-2-carbonyl)piperidine-3-carboxylic acid
CID 858666
(3S)-N-[(1S,2R)-2-methylcyclohexyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 124743109
(3S)-N-[(1R,2R)-2-methylcyclohexyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 124743110
N-(3,4-dichlorophenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 42946658
N-(4-propan-2-ylphenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 42946825
N-(dicyclopropylmethyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 43057486
N-(2-fluoro-5-methylphenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 134062205
N'-(2-hydroxybenzoyl)-1-(thiophene-2-carbonyl)piperidine-3-carbohydrazide
CID 46556792
N-butyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 43053418

Frequently Asked Questions

What is the IUPAC name of N'-(4,6-dimethylpyrimidin-2-yl)-1-(thiophene-2-carbonyl)piperidine-3-carbohydrazide?
The IUPAC name of N'-(4,6-dimethylpyrimidin-2-yl)-1-(thiophene-2-carbonyl)piperidine-3-carbohydrazide (CID 46557972) is N'-(4,6-dimethylpyrimidin-2-yl)-1-(thiophene-2-carbonyl)piperidine-3-carbohydrazide.
What is the SMILES notation for N'-(4,6-dimethylpyrimidin-2-yl)-1-(thiophene-2-carbonyl)piperidine-3-carbohydrazide?
The canonical SMILES for N'-(4,6-dimethylpyrimidin-2-yl)-1-(thiophene-2-carbonyl)piperidine-3-carbohydrazide is Cc1cc(C)nc(NNC(=O)C2CCCN(C(=O)c3cccs3)C2)n1.
What is the InChIKey of N'-(4,6-dimethylpyrimidin-2-yl)-1-(thiophene-2-carbonyl)piperidine-3-carbohydrazide?
The InChIKey is LOTVJZFNJVZKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2S/c1-11-9-12(2)19-17(18-11)21-20-15(23)13-5-3-7-22(10-13)16(24)14-6-4-8-25-14/h4,6,8-9,13H,3,5,7,10H2,1-2H3,(H,20,23)(H,18,19,21).
What are the key properties of N'-(4,6-dimethylpyrimidin-2-yl)-1-(thiophene-2-carbonyl)piperidine-3-carbohydrazide?
N'-(4,6-dimethylpyrimidin-2-yl)-1-(thiophene-2-carbonyl)piperidine-3-carbohydrazide has a molecular weight of 359.46 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4,6-dimethylpyrimidin-2-yl)-1-(thiophene-2-carbonyl)piperidine-3-carbohydrazide is sourced from PubChem (CID 46557972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).