1-[1-[(1-tert-butyltetrazol-5-yl)methyl]piperidin-4-yl]-3-(4-fluorophenyl)urea

C18H26FN7O — CID 1445081

IUPAC1-[1-[(1-tert-butyltetrazol-5-yl)methyl]piperidin-4-yl]-3-(4-fluorophenyl)urea
SMILESCC(C)(C)n1nnnc1CN1CCC(NC(=O)Nc2ccc(F)cc2)CC1
InChIInChI=1S/C18H26FN7O/c1-18(2,3)26-16(22-23-24-26)12-25-10-8-15(9-11-25)21-17(27)20-14-6-4-13(19)5-7-14/h4-7,15H,8-12H2,1-3H3,(H2,20,21,27)
InChIKeyYSTVRAGCTVKZFY-UHFFFAOYSA-N
MW375.45 g/mol
LogP2.35
Rot. Bonds4

About 1-[1-[(1-tert-butyltetrazol-5-yl)methyl]piperidin-4-yl]-3-(4-fluorophenyl)urea

1-[1-[(1-tert-butyltetrazol-5-yl)methyl]piperidin-4-yl]-3-(4-fluorophenyl)urea (PubChem CID 1445081) has the molecular formula C18H26FN7O and a molecular weight of 375.45 g/mol. Its IUPAC name is 1-[1-[(1-tert-butyltetrazol-5-yl)methyl]piperidin-4-yl]-3-(4-fluorophenyl)urea.

Molecular Properties

Compound Name1-[1-[(1-tert-butyltetrazol-5-yl)methyl]piperidin-4-yl]-3-(4-fluorophenyl)urea
PubChem CID1445081
Molecular FormulaC18H26FN7O
Molecular Weight375.45 g/mol
Exact Mass375.22
IUPAC Name1-[1-[(1-tert-butyltetrazol-5-yl)methyl]piperidin-4-yl]-3-(4-fluorophenyl)urea
SMILESCC(C)(C)n1nnnc1CN1CCC(NC(=O)Nc2ccc(F)cc2)CC1
InChIInChI=1S/C18H26FN7O/c1-18(2,3)26-16(22-23-24-26)12-25-10-8-15(9-11-25)21-17(27)20-14-6-4-13(19)5-7-14/h4-7,15H,8-12H2,1-3H3,(H2,20,21,27)
InChIKeyYSTVRAGCTVKZFY-UHFFFAOYSA-N
XLogP2.35
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-Fluorophenyl)-4-[[1-(3-methylbutyl)tetrazol-5-yl]methyl]piperazine
CID 1448649
1-[8-(1-tert-Butyl-1H-tetrazol-5-ylmethyl)-8-aza-bicyclo[3.2.1]oct-3-yl]-3-phenyl-urea
CID 648721
1-{1-[1-(4-Fluoro-benzyl)-1H-tetrazol-5-ylmethyl]-piperidin-4-yl}-3-(2-fluoro-phenyl)-urea
CID 651222
1-[1-(1-Tert-butyltetrazol-5-yl)butyl]-4-phenylpiperazine
CID 3208847
3-[1-[1-(1-tert-butyltetrazol-5-yl)propyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 51360393
1-[3-[5-Cyclopropyl-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]propyl]-3-(4-fluorocyclohexyl)urea
CID 156017541
3-[1-[1-(1-butyltetrazol-5-yl)propyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 51360383
1-[1-(1-Cyclohexyl-1H-tetrazol-5-ylmethyl)-piperidin-4-yl]-3-phenyl-urea
CID 647359
N-(4-fluorophenyl)-1-[3-(1H-tetrazol-1-yl)propanoyl]-3-piperidinamine
CID 24817368
3-[1-[1-(1-cyclohexyltetrazol-5-yl)propyl]-4-piperidyl]-1H-benzimidazol-2-one
CID 51360360
3-[1-[1-(1-cyclopentyltetrazol-5-yl)propyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 51360371
3-[1-[(1-butyltetrazol-5-yl)-cyclopropylmethyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 51360381

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(1-tert-butyltetrazol-5-yl)methyl]piperidin-4-yl]-3-(4-fluorophenyl)urea?
The IUPAC name of 1-[1-[(1-tert-butyltetrazol-5-yl)methyl]piperidin-4-yl]-3-(4-fluorophenyl)urea (CID 1445081) is 1-[1-[(1-tert-butyltetrazol-5-yl)methyl]piperidin-4-yl]-3-(4-fluorophenyl)urea.
What is the SMILES notation for 1-[1-[(1-tert-butyltetrazol-5-yl)methyl]piperidin-4-yl]-3-(4-fluorophenyl)urea?
The canonical SMILES for 1-[1-[(1-tert-butyltetrazol-5-yl)methyl]piperidin-4-yl]-3-(4-fluorophenyl)urea is CC(C)(C)n1nnnc1CN1CCC(NC(=O)Nc2ccc(F)cc2)CC1.
What is the InChIKey of 1-[1-[(1-tert-butyltetrazol-5-yl)methyl]piperidin-4-yl]-3-(4-fluorophenyl)urea?
The InChIKey is YSTVRAGCTVKZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FN7O/c1-18(2,3)26-16(22-23-24-26)12-25-10-8-15(9-11-25)21-17(27)20-14-6-4-13(19)5-7-14/h4-7,15H,8-12H2,1-3H3,(H2,20,21,27).
What are the key properties of 1-[1-[(1-tert-butyltetrazol-5-yl)methyl]piperidin-4-yl]-3-(4-fluorophenyl)urea?
1-[1-[(1-tert-butyltetrazol-5-yl)methyl]piperidin-4-yl]-3-(4-fluorophenyl)urea has a molecular weight of 375.45 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(1-tert-butyltetrazol-5-yl)methyl]piperidin-4-yl]-3-(4-fluorophenyl)urea is sourced from PubChem (CID 1445081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).