N-(2H-benzotriazol-5-yl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide

C19H18FN5O2 — CID 166220457

IUPACN-(2H-benzotriazol-5-yl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc2n[nH]nc2c1)C1CCCN(C(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C19H18FN5O2/c20-14-5-3-12(4-6-14)19(27)25-9-1-2-13(11-25)18(26)21-15-7-8-16-17(10-15)23-24-22-16/h3-8,10,13H,1-2,9,11H2,(H,21,26)(H,22,23,24)
InChIKeyHZHZUCUXDKUZKX-UHFFFAOYSA-N
MW367.38 g/mol
LogP2.59
Rot. Bonds3

About N-(2H-benzotriazol-5-yl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide

N-(2H-benzotriazol-5-yl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide (PubChem CID 166220457) has the molecular formula C19H18FN5O2 and a molecular weight of 367.38 g/mol. Its IUPAC name is N-(2H-benzotriazol-5-yl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2H-benzotriazol-5-yl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
PubChem CID166220457
Molecular FormulaC19H18FN5O2
Molecular Weight367.38 g/mol
Exact Mass367.14
IUPAC NameN-(2H-benzotriazol-5-yl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc2n[nH]nc2c1)C1CCCN(C(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C19H18FN5O2/c20-14-5-3-12(4-6-14)19(27)25-9-1-2-13(11-25)18(26)21-15-7-8-16-17(10-15)23-24-22-16/h3-8,10,13H,1-2,9,11H2,(H,21,26)(H,22,23,24)
InChIKeyHZHZUCUXDKUZKX-UHFFFAOYSA-N
XLogP2.59
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2H-benzotriazole-5-carbonyl)-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 99816380
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 46449131
(3S)-N-(4-ethoxyphenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 51562316
N-(3-cyanophenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 51271965
1-(4-fluorobenzoyl)-N-spiro[1,3-benzodioxole-2,1'-cyclopentane]-5-ylpiperidine-3-carboxamide
CID 55462008
(3S)-N-(2-tert-butylpyrimidin-5-yl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 95233341
N-(2,4-difluorophenyl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 51272463
(3S)-N-[3-chloro-4-(difluoromethoxy)phenyl]-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 25394612
1-(4-fluorobenzoyl)piperidine-3-carbohydrazide
CID 54793956
1-(4-fluorobenzoyl)-N-methylpiperidine-3-carboxamide
CID 47128312
N-[4-(3-fluorophenyl)phenyl]-1-(pyridine-4-carbonyl)piperidine-3-carboxamide
CID 45208634
(3R)-1-(4-fluorobenzoyl)-N-(1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
CID 29370440

Frequently Asked Questions

What is the IUPAC name of N-(2H-benzotriazol-5-yl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide?
The IUPAC name of N-(2H-benzotriazol-5-yl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide (CID 166220457) is N-(2H-benzotriazol-5-yl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(2H-benzotriazol-5-yl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide?
The canonical SMILES for N-(2H-benzotriazol-5-yl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide is O=C(Nc1ccc2n[nH]nc2c1)C1CCCN(C(=O)c2ccc(F)cc2)C1.
What is the InChIKey of N-(2H-benzotriazol-5-yl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide?
The InChIKey is HZHZUCUXDKUZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5O2/c20-14-5-3-12(4-6-14)19(27)25-9-1-2-13(11-25)18(26)21-15-7-8-16-17(10-15)23-24-22-16/h3-8,10,13H,1-2,9,11H2,(H,21,26)(H,22,23,24).
What are the key properties of N-(2H-benzotriazol-5-yl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide?
N-(2H-benzotriazol-5-yl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide has a molecular weight of 367.38 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2H-benzotriazol-5-yl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide is sourced from PubChem (CID 166220457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).