(3S)-1-(4-chlorobenzoyl)-N'-[3-(trifluoromethyl)phenyl]piperidine-3-carbohydrazide

C20H19ClF3N3O2 — CID 95247853

IUPAC(3S)-1-(4-chlorobenzoyl)-N'-[3-(trifluoromethyl)phenyl]piperidine-3-carbohydrazide
SMILESO=C(NNc1cccc(C(F)(F)F)c1)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C20H19ClF3N3O2/c21-16-8-6-13(7-9-16)19(29)27-10-2-3-14(12-27)18(28)26-25-17-5-1-4-15(11-17)20(22,23)24/h1,4-9,11,14,25H,2-3,10,12H2,(H,26,28)/t14-/m0/s1
InChIKeyISWVBZXCMGYYOW-AWEZNQCLSA-N
MW425.84 g/mol
LogP4.35
Rot. Bonds4

About (3S)-1-(4-chlorobenzoyl)-N'-[3-(trifluoromethyl)phenyl]piperidine-3-carbohydrazide

(3S)-1-(4-chlorobenzoyl)-N'-[3-(trifluoromethyl)phenyl]piperidine-3-carbohydrazide (PubChem CID 95247853) has the molecular formula C20H19ClF3N3O2 and a molecular weight of 425.84 g/mol. Its IUPAC name is (3S)-1-(4-chlorobenzoyl)-N'-[3-(trifluoromethyl)phenyl]piperidine-3-carbohydrazide.

Molecular Properties

Compound Name(3S)-1-(4-chlorobenzoyl)-N'-[3-(trifluoromethyl)phenyl]piperidine-3-carbohydrazide
PubChem CID95247853
Molecular FormulaC20H19ClF3N3O2
Molecular Weight425.84 g/mol
Exact Mass425.11
IUPAC Name(3S)-1-(4-chlorobenzoyl)-N'-[3-(trifluoromethyl)phenyl]piperidine-3-carbohydrazide
SMILESO=C(NNc1cccc(C(F)(F)F)c1)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C20H19ClF3N3O2/c21-16-8-6-13(7-9-16)19(29)27-10-2-3-14(12-27)18(28)26-25-17-5-1-4-15(11-17)20(22,23)24/h1,4-9,11,14,25H,2-3,10,12H2,(H,26,28)/t14-/m0/s1
InChIKeyISWVBZXCMGYYOW-AWEZNQCLSA-N
XLogP4.35
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.84
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3R)-1-[3-(trifluoromethyl)benzoyl]-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 94082199
(3S)-N-(5-chloro-2-methylphenyl)-1-[3-(trifluoromethyl)benzoyl]piperidine-3-carboxamide
CID 94082301
(4-chlorophenyl)-[(3S)-3-[[3-(trifluoromethyl)phenyl]methoxy]piperidin-1-yl]methanone
CID 93223653
1-(4-chlorobenzoyl)-N-[3-(hydroxymethyl)phenyl]piperidine-3-carboxamide
CID 112766687
(3S)-1-(4-chlorobenzoyl)-N-(3-cyanophenyl)piperidine-3-carboxamide
CID 9110672
1-[3-(trifluoromethyl)benzoyl]piperidine-3-carboxylic acid
CID 43080840
4-(azepane-1-carbonyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 109049168
N-(3-ethylphenyl)-1-[3-(trifluoromethyl)benzoyl]piperidine-3-carboxamide
CID 50804384
(3S)-1-(2,2-dimethylpropanoyl)-N-[3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 94857474
1-benzoyl-N-(3-tert-butylphenyl)piperidine-3-carboxamide
CID 121381993
N-(2-amino-2-methylpropyl)-1-(4-chlorobenzoyl)piperidine-3-carboxamide
CID 119627004
1-(4-chlorobenzoyl)-N-(4-chloro-2-fluorophenyl)piperidine-3-carboxamide
CID 134062571

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(4-chlorobenzoyl)-N'-[3-(trifluoromethyl)phenyl]piperidine-3-carbohydrazide?
The IUPAC name of (3S)-1-(4-chlorobenzoyl)-N'-[3-(trifluoromethyl)phenyl]piperidine-3-carbohydrazide (CID 95247853) is (3S)-1-(4-chlorobenzoyl)-N'-[3-(trifluoromethyl)phenyl]piperidine-3-carbohydrazide.
What is the SMILES notation for (3S)-1-(4-chlorobenzoyl)-N'-[3-(trifluoromethyl)phenyl]piperidine-3-carbohydrazide?
The canonical SMILES for (3S)-1-(4-chlorobenzoyl)-N'-[3-(trifluoromethyl)phenyl]piperidine-3-carbohydrazide is O=C(NNc1cccc(C(F)(F)F)c1)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1.
What is the InChIKey of (3S)-1-(4-chlorobenzoyl)-N'-[3-(trifluoromethyl)phenyl]piperidine-3-carbohydrazide?
The InChIKey is ISWVBZXCMGYYOW-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H19ClF3N3O2/c21-16-8-6-13(7-9-16)19(29)27-10-2-3-14(12-27)18(28)26-25-17-5-1-4-15(11-17)20(22,23)24/h1,4-9,11,14,25H,2-3,10,12H2,(H,26,28)/t14-/m0/s1.
What are the key properties of (3S)-1-(4-chlorobenzoyl)-N'-[3-(trifluoromethyl)phenyl]piperidine-3-carbohydrazide?
(3S)-1-(4-chlorobenzoyl)-N'-[3-(trifluoromethyl)phenyl]piperidine-3-carbohydrazide has a molecular weight of 425.84 g/mol, XLogP of 4.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(4-chlorobenzoyl)-N'-[3-(trifluoromethyl)phenyl]piperidine-3-carbohydrazide is sourced from PubChem (CID 95247853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).