1-(2H-benzotriazole-5-carbonyl)-N-(4-fluorophenyl)piperidine-4-carboxamide

C19H18FN5O2 — CID 99816380

IUPAC1-(2H-benzotriazole-5-carbonyl)-N-(4-fluorophenyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(F)cc1)C1CCN(C(=O)c2ccc3n[nH]nc3c2)CC1
InChIInChI=1S/C19H18FN5O2/c20-14-2-4-15(5-3-14)21-18(26)12-7-9-25(10-8-12)19(27)13-1-6-16-17(11-13)23-24-22-16/h1-6,11-12H,7-10H2,(H,21,26)(H,22,23,24)
InChIKeyYJXDXIKXTBROGP-UHFFFAOYSA-N
MW367.38 g/mol
LogP2.59
Rot. Bonds3

About 1-(2H-benzotriazole-5-carbonyl)-N-(4-fluorophenyl)piperidine-4-carboxamide

1-(2H-benzotriazole-5-carbonyl)-N-(4-fluorophenyl)piperidine-4-carboxamide (PubChem CID 99816380) has the molecular formula C19H18FN5O2 and a molecular weight of 367.38 g/mol. Its IUPAC name is 1-(2H-benzotriazole-5-carbonyl)-N-(4-fluorophenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2H-benzotriazole-5-carbonyl)-N-(4-fluorophenyl)piperidine-4-carboxamide
PubChem CID99816380
Molecular FormulaC19H18FN5O2
Molecular Weight367.38 g/mol
Exact Mass367.14
IUPAC Name1-(2H-benzotriazole-5-carbonyl)-N-(4-fluorophenyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(F)cc1)C1CCN(C(=O)c2ccc3n[nH]nc3c2)CC1
InChIInChI=1S/C19H18FN5O2/c20-14-2-4-15(5-3-14)21-18(26)12-7-9-25(10-8-12)19(27)13-1-6-16-17(11-13)23-24-22-16/h1-6,11-12H,7-10H2,(H,21,26)(H,22,23,24)
InChIKeyYJXDXIKXTBROGP-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

N-(2H-benzotriazol-5-yl)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 166220457
1-(3-aminobenzoyl)-N-(4-fluorophenyl)piperidine-4-carboxamide;hydrochloride
CID 119768112
N-[3-(cyclopropanecarbonylamino)phenyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 38324789
1-(3-fluorobenzoyl)-N-phenylpiperidine-4-carboxamide
CID 17223576
1-(1-benzoylpiperidin-4-yl)-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 42693290
N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 35343180
N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 26208676
4-[(1-benzoylpiperidine-4-carbonyl)amino]benzoic acid
CID 119177742
N-[4-(ethylsulfamoyl)phenyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 17224011
N-[4-(diethylamino)phenyl]-1-(3-fluorobenzoyl)piperidine-4-carboxamide
CID 113008104
1-[1-(1,3-benzodioxole-5-carbonyl)piperidin-4-yl]-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 42693314
N-(4-fluorophenyl)-1-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]piperidine-4-carboxamide
CID 42693313

Frequently Asked Questions

What is the IUPAC name of 1-(2H-benzotriazole-5-carbonyl)-N-(4-fluorophenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2H-benzotriazole-5-carbonyl)-N-(4-fluorophenyl)piperidine-4-carboxamide (CID 99816380) is 1-(2H-benzotriazole-5-carbonyl)-N-(4-fluorophenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2H-benzotriazole-5-carbonyl)-N-(4-fluorophenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2H-benzotriazole-5-carbonyl)-N-(4-fluorophenyl)piperidine-4-carboxamide is O=C(Nc1ccc(F)cc1)C1CCN(C(=O)c2ccc3n[nH]nc3c2)CC1.
What is the InChIKey of 1-(2H-benzotriazole-5-carbonyl)-N-(4-fluorophenyl)piperidine-4-carboxamide?
The InChIKey is YJXDXIKXTBROGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5O2/c20-14-2-4-15(5-3-14)21-18(26)12-7-9-25(10-8-12)19(27)13-1-6-16-17(11-13)23-24-22-16/h1-6,11-12H,7-10H2,(H,21,26)(H,22,23,24).
What are the key properties of 1-(2H-benzotriazole-5-carbonyl)-N-(4-fluorophenyl)piperidine-4-carboxamide?
1-(2H-benzotriazole-5-carbonyl)-N-(4-fluorophenyl)piperidine-4-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 1-(2H-benzotriazole-5-carbonyl)-N-(4-fluorophenyl)piperidine-4-carboxamide is sourced from PubChem (CID 99816380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).