1-cyclopropyl-4-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]tetrazol-5-one

C16H20FN5O — CID 95798424

IUPAC1-cyclopropyl-4-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]tetrazol-5-one
SMILESO=c1n(C2CC2)nnn1C1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C16H20FN5O/c17-13-3-1-12(2-4-13)11-20-9-7-15(8-10-20)22-16(23)21(18-19-22)14-5-6-14/h1-4,14-15H,5-11H2
InChIKeyQTXWXZZREOPPPA-UHFFFAOYSA-N
MW317.37 g/mol
LogP1.75
Rot. Bonds4

About 1-cyclopropyl-4-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]tetrazol-5-one

1-cyclopropyl-4-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]tetrazol-5-one (PubChem CID 95798424) has the molecular formula C16H20FN5O and a molecular weight of 317.37 g/mol. Its IUPAC name is 1-cyclopropyl-4-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]tetrazol-5-one.

Molecular Properties

Compound Name1-cyclopropyl-4-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]tetrazol-5-one
PubChem CID95798424
Molecular FormulaC16H20FN5O
Molecular Weight317.37 g/mol
Exact Mass317.17
IUPAC Name1-cyclopropyl-4-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]tetrazol-5-one
SMILESO=c1n(C2CC2)nnn1C1CCN(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C16H20FN5O/c17-13-3-1-12(2-4-13)11-20-9-7-15(8-10-20)22-16(23)21(18-19-22)14-5-6-14/h1-4,14-15H,5-11H2
InChIKeyQTXWXZZREOPPPA-UHFFFAOYSA-N
XLogP1.75
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(S)-4-(2,5-difluorophenyl)-N-methyl-N-(1-methylpiperidin-4-yl)-2-phenyl-2H-pyrrole-1(5H)-carboxamide
CID 44568231
N,2,6-trimethyl-N-[(2,3,5-trifluorophenyl)methyl]piperidine-1-carboxamide
CID 121446710
N,2-dimethyl-N-[(2,3,5-trifluorophenyl)methyl]piperidine-1-carboxamide
CID 121446695
(8aR)-7-(cyclopropylmethyl)-2-[(4-fluorophenyl)methyl]-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
CID 75537089
3-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-1H-imidazol-2-one
CID 134794343
3-[(4-Fluorophenyl)methyl]-1-methyl-1-[2-[methyl-(1-methylpiperidin-4-yl)amino]ethyl]urea
CID 45832983
3-[(2-Fluorophenyl)methyl]-1-methyl-1-(1-propylpiperidin-4-yl)urea
CID 53548822
N-{[1-(2-fluorobenzyl)piperidin-3-yl]methyl}-N'-isopropylurea
CID 56743428
1-Cyclobutyl-1-[(2-fluorophenyl)methyl]-3-(1-prop-2-enylpiperidin-4-yl)urea
CID 75379647
4-(2-fluorophenyl)-N,N-dimethyl-2-phenyl-2,5-dihydropyrrole-1-carboxamide
CID 10041052
(2S)-4-(2,5-Difluorophenyl)-N-[(3R,4S)-3-fluoro-1-methylpiperidin-4-yl]-N-methyl-2-phenyl-2,5-dihydro-1H-pyrrole-1-carboxamide
CID 11532041
(2S)-4-(2,5-Difluorophenyl)-N-[(3R,4R)-3-fluoro-1-methylpiperidin-4-yl]-N-methyl-2-phenyl-2,5-dihydro-1H-pyrrole-1-carboxamide
CID 11676314

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]tetrazol-5-one?
The IUPAC name of 1-cyclopropyl-4-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]tetrazol-5-one (CID 95798424) is 1-cyclopropyl-4-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]tetrazol-5-one.
What is the SMILES notation for 1-cyclopropyl-4-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]tetrazol-5-one?
The canonical SMILES for 1-cyclopropyl-4-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]tetrazol-5-one is O=c1n(C2CC2)nnn1C1CCN(Cc2ccc(F)cc2)CC1.
What is the InChIKey of 1-cyclopropyl-4-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]tetrazol-5-one?
The InChIKey is QTXWXZZREOPPPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN5O/c17-13-3-1-12(2-4-13)11-20-9-7-15(8-10-20)22-16(23)21(18-19-22)14-5-6-14/h1-4,14-15H,5-11H2.
What are the key properties of 1-cyclopropyl-4-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]tetrazol-5-one?
1-cyclopropyl-4-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]tetrazol-5-one has a molecular weight of 317.37 g/mol, XLogP of 1.75, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]tetrazol-5-one is sourced from PubChem (CID 95798424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).