1-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-3-methylbutyl]piperidine-4-carboxamide

C19H27FN6O — CID 3209815

IUPAC1-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-3-methylbutyl]piperidine-4-carboxamide
SMILESCC(C)CC(c1nnnn1Cc1ccc(F)cc1)N1CCC(C(N)=O)CC1
InChIInChI=1S/C19H27FN6O/c1-13(2)11-17(25-9-7-15(8-10-25)18(21)27)19-22-23-24-26(19)12-14-3-5-16(20)6-4-14/h3-6,13,15,17H,7-12H2,1-2H3,(H2,21,27)
InChIKeyJXZZTUJQAUBQAG-UHFFFAOYSA-N
MW374.46 g/mol
LogP2.14
Rot. Bonds7

About 1-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-3-methylbutyl]piperidine-4-carboxamide

1-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-3-methylbutyl]piperidine-4-carboxamide (PubChem CID 3209815) has the molecular formula C19H27FN6O and a molecular weight of 374.46 g/mol. Its IUPAC name is 1-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-3-methylbutyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-3-methylbutyl]piperidine-4-carboxamide
PubChem CID3209815
Molecular FormulaC19H27FN6O
Molecular Weight374.46 g/mol
Exact Mass374.22
IUPAC Name1-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-3-methylbutyl]piperidine-4-carboxamide
SMILESCC(C)CC(c1nnnn1Cc1ccc(F)cc1)N1CCC(C(N)=O)CC1
InChIInChI=1S/C19H27FN6O/c1-13(2)11-17(25-9-7-15(8-10-25)18(21)27)19-22-23-24-26(19)12-14-3-5-16(20)6-4-14/h3-6,13,15,17H,7-12H2,1-2H3,(H2,21,27)
InChIKeyJXZZTUJQAUBQAG-UHFFFAOYSA-N
XLogP2.14
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-3-methylbutyl]piperidine-4-carboxamide?
The IUPAC name of 1-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-3-methylbutyl]piperidine-4-carboxamide (CID 3209815) is 1-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-3-methylbutyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-3-methylbutyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-3-methylbutyl]piperidine-4-carboxamide is CC(C)CC(c1nnnn1Cc1ccc(F)cc1)N1CCC(C(N)=O)CC1.
What is the InChIKey of 1-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-3-methylbutyl]piperidine-4-carboxamide?
The InChIKey is JXZZTUJQAUBQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN6O/c1-13(2)11-17(25-9-7-15(8-10-25)18(21)27)19-22-23-24-26(19)12-14-3-5-16(20)6-4-14/h3-6,13,15,17H,7-12H2,1-2H3,(H2,21,27).
What are the key properties of 1-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-3-methylbutyl]piperidine-4-carboxamide?
1-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-3-methylbutyl]piperidine-4-carboxamide has a molecular weight of 374.46 g/mol, XLogP of 2.14, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-3-methylbutyl]piperidine-4-carboxamide is sourced from PubChem (CID 3209815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).