(3S)-1-(thiophene-2-carbonyl)-N'-[2-(trifluoromethyl)phenyl]piperidine-3-carbohydrazide

C18H18F3N3O2S — CID 39982573

IUPAC(3S)-1-(thiophene-2-carbonyl)-N'-[2-(trifluoromethyl)phenyl]piperidine-3-carbohydrazide
SMILESO=C(NNc1ccccc1C(F)(F)F)[C@H]1CCCN(C(=O)c2cccs2)C1
InChIInChI=1S/C18H18F3N3O2S/c19-18(20,21)13-6-1-2-7-14(13)22-23-16(25)12-5-3-9-24(11-12)17(26)15-8-4-10-27-15/h1-2,4,6-8,10,12,22H,3,5,9,11H2,(H,23,25)/t12-/m0/s1
InChIKeyCWWPOAGMCQOUKQ-LBPRGKRZSA-N
MW397.42 g/mol
LogP3.76
Rot. Bonds4

About (3S)-1-(thiophene-2-carbonyl)-N'-[2-(trifluoromethyl)phenyl]piperidine-3-carbohydrazide

(3S)-1-(thiophene-2-carbonyl)-N'-[2-(trifluoromethyl)phenyl]piperidine-3-carbohydrazide (PubChem CID 39982573) has the molecular formula C18H18F3N3O2S and a molecular weight of 397.42 g/mol. Its IUPAC name is (3S)-1-(thiophene-2-carbonyl)-N'-[2-(trifluoromethyl)phenyl]piperidine-3-carbohydrazide.

Molecular Properties

Compound Name(3S)-1-(thiophene-2-carbonyl)-N'-[2-(trifluoromethyl)phenyl]piperidine-3-carbohydrazide
PubChem CID39982573
Molecular FormulaC18H18F3N3O2S
Molecular Weight397.42 g/mol
Exact Mass397.11
IUPAC Name(3S)-1-(thiophene-2-carbonyl)-N'-[2-(trifluoromethyl)phenyl]piperidine-3-carbohydrazide
SMILESO=C(NNc1ccccc1C(F)(F)F)[C@H]1CCCN(C(=O)c2cccs2)C1
InChIInChI=1S/C18H18F3N3O2S/c19-18(20,21)13-6-1-2-7-14(13)22-23-16(25)12-5-3-9-24(11-12)17(26)15-8-4-10-27-15/h1-2,4,6-8,10,12,22H,3,5,9,11H2,(H,23,25)/t12-/m0/s1
InChIKeyCWWPOAGMCQOUKQ-LBPRGKRZSA-N
XLogP3.76
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.42
LogP ≤ 53.76
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-(2-iodophenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 55559011
(3R)-1-(thiophene-2-carbonyl)-N-[4-(trifluoromethyl)cyclohexyl]piperidine-3-carboxamide
CID 30787670
N'-(2-hydroxybenzoyl)-1-(thiophene-2-carbonyl)piperidine-3-carbohydrazide
CID 46556792
N-[2-(propan-2-ylcarbamoyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 55672694
(3R)-1-(thiophene-2-carbonyl)piperidine-3-carboxylic acid
CID 858666
N'-(4,6-dimethylpyrimidin-2-yl)-1-(thiophene-2-carbonyl)piperidine-3-carbohydrazide
CID 46557972
N-(dicyclopropylmethyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 43057486
N-(2,2-dimethyl-1-phenylpropyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 55643259
(3S)-N-propyl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 39977852
(3R)-N-pyridin-2-yl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 30784713
N'-[2-(trifluoromethyl)phenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]piperidine-3-carbohydrazide
CID 55718313
N-pyridin-2-yl-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 43053443

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(thiophene-2-carbonyl)-N'-[2-(trifluoromethyl)phenyl]piperidine-3-carbohydrazide?
The IUPAC name of (3S)-1-(thiophene-2-carbonyl)-N'-[2-(trifluoromethyl)phenyl]piperidine-3-carbohydrazide (CID 39982573) is (3S)-1-(thiophene-2-carbonyl)-N'-[2-(trifluoromethyl)phenyl]piperidine-3-carbohydrazide.
What is the SMILES notation for (3S)-1-(thiophene-2-carbonyl)-N'-[2-(trifluoromethyl)phenyl]piperidine-3-carbohydrazide?
The canonical SMILES for (3S)-1-(thiophene-2-carbonyl)-N'-[2-(trifluoromethyl)phenyl]piperidine-3-carbohydrazide is O=C(NNc1ccccc1C(F)(F)F)[C@H]1CCCN(C(=O)c2cccs2)C1.
What is the InChIKey of (3S)-1-(thiophene-2-carbonyl)-N'-[2-(trifluoromethyl)phenyl]piperidine-3-carbohydrazide?
The InChIKey is CWWPOAGMCQOUKQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H18F3N3O2S/c19-18(20,21)13-6-1-2-7-14(13)22-23-16(25)12-5-3-9-24(11-12)17(26)15-8-4-10-27-15/h1-2,4,6-8,10,12,22H,3,5,9,11H2,(H,23,25)/t12-/m0/s1.
What are the key properties of (3S)-1-(thiophene-2-carbonyl)-N'-[2-(trifluoromethyl)phenyl]piperidine-3-carbohydrazide?
(3S)-1-(thiophene-2-carbonyl)-N'-[2-(trifluoromethyl)phenyl]piperidine-3-carbohydrazide has a molecular weight of 397.42 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(thiophene-2-carbonyl)-N'-[2-(trifluoromethyl)phenyl]piperidine-3-carbohydrazide is sourced from PubChem (CID 39982573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).