[3-(4-fluoroanilino)piperidin-1-yl]-[4-(tetrazol-1-ylmethyl)phenyl]methanone

C20H21FN6O — CID 24793930

IUPAC[3-(4-fluoroanilino)piperidin-1-yl]-[4-(tetrazol-1-ylmethyl)phenyl]methanone
SMILESO=C(c1ccc(Cn2cnnn2)cc1)N1CCCC(Nc2ccc(F)cc2)C1
InChIInChI=1S/C20H21FN6O/c21-17-7-9-18(10-8-17)23-19-2-1-11-26(13-19)20(28)16-5-3-15(4-6-16)12-27-14-22-24-25-27/h3-10,14,19,23H,1-2,11-13H2
InChIKeyWNCZLGRPMPPSMH-UHFFFAOYSA-N
MW380.43 g/mol
LogP2.58
Rot. Bonds5

About [3-(4-fluoroanilino)piperidin-1-yl]-[4-(tetrazol-1-ylmethyl)phenyl]methanone

[3-(4-fluoroanilino)piperidin-1-yl]-[4-(tetrazol-1-ylmethyl)phenyl]methanone (PubChem CID 24793930) has the molecular formula C20H21FN6O and a molecular weight of 380.43 g/mol. Its IUPAC name is [3-(4-fluoroanilino)piperidin-1-yl]-[4-(tetrazol-1-ylmethyl)phenyl]methanone.

Molecular Properties

Compound Name[3-(4-fluoroanilino)piperidin-1-yl]-[4-(tetrazol-1-ylmethyl)phenyl]methanone
PubChem CID24793930
Molecular FormulaC20H21FN6O
Molecular Weight380.43 g/mol
Exact Mass380.18
IUPAC Name[3-(4-fluoroanilino)piperidin-1-yl]-[4-(tetrazol-1-ylmethyl)phenyl]methanone
SMILESO=C(c1ccc(Cn2cnnn2)cc1)N1CCCC(Nc2ccc(F)cc2)C1
InChIInChI=1S/C20H21FN6O/c21-17-7-9-18(10-8-17)23-19-2-1-11-26(13-19)20(28)16-5-3-15(4-6-16)12-27-14-22-24-25-27/h3-10,14,19,23H,1-2,11-13H2
InChIKeyWNCZLGRPMPPSMH-UHFFFAOYSA-N
XLogP2.58
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclohexyl-4-(tetrazol-1-yl)benzamide
CID 920441
N-cyclohexyl-2-(3-fluoro-N-[2-(1,2,4-triazol-1-yl)acetyl]anilino)-2-(2-methylphenyl)acetamide
CID 71460994
N-(4-fluorophenyl)-4-(1H-tetrazol-1-ylmethyl)benzamide
CID 712035
2-Acetylamino-3-(4-fluoro-phenyl)-N-[1-(1-phenyl-1H-tetrazol-5-yl)-piperidin-4-yl]-propionamide
CID 649890
1-(diphenylmethyl)-4-[4-(1H-tetrazol-1-yl)benzoyl]piperazine
CID 2355819
N-{4-[4-(2-fluorobenzoyl)-1-piperazinyl]phenyl}-1H-1,2,4-triazole-3-carboxamide
CID 2991105
2-acetamido-3-(3,4-difluorophenyl)-N-[1-(1-phenyltetrazol-5-yl)piperidin-4-yl]propanamide
CID 3231809
N-[2-(3,4-difluoroanilino)-2-oxoethyl]-3-(tetrazol-1-yl)benzamide
CID 24686426
N-[1-(4-isobutylbenzyl)-3-piperidyl]-3-(1,2,4-triazol-4-yl)benzamide
CID 24792032
N-(3,4-difluorophenyl)-1-[4-(1H-tetrazol-1-ylmethyl)benzoyl]-3-piperidinamine
CID 24819549
N-(1-benzylpiperidin-4-yl)-3-(4-fluorophenyl)-5-(tetrazol-1-yl)benzamide
CID 45198838
N-(1-benzylpiperidin-4-yl)-3-(3-methylphenyl)-5-(tetrazol-1-yl)benzamide
CID 45488278

Frequently Asked Questions

What is the IUPAC name of [3-(4-fluoroanilino)piperidin-1-yl]-[4-(tetrazol-1-ylmethyl)phenyl]methanone?
The IUPAC name of [3-(4-fluoroanilino)piperidin-1-yl]-[4-(tetrazol-1-ylmethyl)phenyl]methanone (CID 24793930) is [3-(4-fluoroanilino)piperidin-1-yl]-[4-(tetrazol-1-ylmethyl)phenyl]methanone.
What is the SMILES notation for [3-(4-fluoroanilino)piperidin-1-yl]-[4-(tetrazol-1-ylmethyl)phenyl]methanone?
The canonical SMILES for [3-(4-fluoroanilino)piperidin-1-yl]-[4-(tetrazol-1-ylmethyl)phenyl]methanone is O=C(c1ccc(Cn2cnnn2)cc1)N1CCCC(Nc2ccc(F)cc2)C1.
What is the InChIKey of [3-(4-fluoroanilino)piperidin-1-yl]-[4-(tetrazol-1-ylmethyl)phenyl]methanone?
The InChIKey is WNCZLGRPMPPSMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN6O/c21-17-7-9-18(10-8-17)23-19-2-1-11-26(13-19)20(28)16-5-3-15(4-6-16)12-27-14-22-24-25-27/h3-10,14,19,23H,1-2,11-13H2.
What are the key properties of [3-(4-fluoroanilino)piperidin-1-yl]-[4-(tetrazol-1-ylmethyl)phenyl]methanone?
[3-(4-fluoroanilino)piperidin-1-yl]-[4-(tetrazol-1-ylmethyl)phenyl]methanone has a molecular weight of 380.43 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluoroanilino)piperidin-1-yl]-[4-(tetrazol-1-ylmethyl)phenyl]methanone is sourced from PubChem (CID 24793930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).