N-(3-fluorophenyl)-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxamide

C19H19FN6O — CID 648479

IUPACN-(3-fluorophenyl)-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxamide
SMILESO=C(Nc1cccc(F)c1)C1CCN(c2nnnn2-c2ccccc2)CC1
InChIInChI=1S/C19H19FN6O/c20-15-5-4-6-16(13-15)21-18(27)14-9-11-25(12-10-14)19-22-23-24-26(19)17-7-2-1-3-8-17/h1-8,13-14H,9-12H2,(H,21,27)
InChIKeyXDOOXIAGSMKRKO-UHFFFAOYSA-N
MW366.40 g/mol
LogP2.66
Rot. Bonds4

About N-(3-fluorophenyl)-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxamide

N-(3-fluorophenyl)-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxamide (PubChem CID 648479) has the molecular formula C19H19FN6O and a molecular weight of 366.40 g/mol. Its IUPAC name is N-(3-fluorophenyl)-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxamide
PubChem CID648479
Molecular FormulaC19H19FN6O
Molecular Weight366.40 g/mol
Exact Mass366.16
IUPAC NameN-(3-fluorophenyl)-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxamide
SMILESO=C(Nc1cccc(F)c1)C1CCN(c2nnnn2-c2ccccc2)CC1
InChIInChI=1S/C19H19FN6O/c20-15-5-4-6-16(13-15)21-18(27)14-9-11-25(12-10-14)19-22-23-24-26(19)17-7-2-1-3-8-17/h1-8,13-14H,9-12H2,(H,21,27)
InChIKeyXDOOXIAGSMKRKO-UHFFFAOYSA-N
XLogP2.66
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,4-dihydro-1H-isoquinolin-2-yl-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]methanone
CID 43815690
2-{[1-(2-fluorophenyl)-1H-tetrazol-5-yl]sulfanyl}-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 4893291
N-cyclohexyl-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxamide
CID 647714
2-Acetylamino-3-(4-fluoro-phenyl)-N-[1-(1-phenyl-1H-tetrazol-5-yl)-piperidin-4-yl]-propionamide
CID 649890
(4-Phenyl-piperazin-1-yl)-[1-(1-phenyl-1H-tetrazol-5-yl)-piperidin-4-yl]-methanone
CID 652213
1-(1-phenyltetrazol-5-yl)-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide
CID 653790
1-(1-Phenyl-1H-tetrazol-5-yl)-piperidine-3-carboxylic acid cyclohexylamide
CID 656118
2-acetamido-3-(3,4-difluorophenyl)-N-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]propanamide
CID 3231809
2-[4-(4-Fluoro-phenyl)-piperazin-1-yl]-N-(4-tetrazol-1-yl-phenyl)-acetamide
CID 648187
4-(1-Phenyltetrazol-5-yl)piperazin-2-one
CID 2540535
1-(1-Phenyl-1H-tetrazol-5-yl)-piperidine-4-carboxylic acid (4-fluoro-phenyl)-amide
CID 645270
1-Phenyl-8-(1-phenyl-1H-tetrazol-5-yl)-1,3,8-triaza-spiro[4.5]decan-4-one
CID 648582

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxamide (CID 648479) is N-(3-fluorophenyl)-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxamide is O=C(Nc1cccc(F)c1)C1CCN(c2nnnn2-c2ccccc2)CC1.
What is the InChIKey of N-(3-fluorophenyl)-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxamide?
The InChIKey is XDOOXIAGSMKRKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN6O/c20-15-5-4-6-16(13-15)21-18(27)14-9-11-25(12-10-14)19-22-23-24-26(19)17-7-2-1-3-8-17/h1-8,13-14H,9-12H2,(H,21,27).
What are the key properties of N-(3-fluorophenyl)-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxamide?
N-(3-fluorophenyl)-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxamide has a molecular weight of 366.40 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-1-(1-phenyltetrazol-5-yl)piperidine-4-carboxamide is sourced from PubChem (CID 648479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).