1-[3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanoyl]piperidine-4-carboxylic acid

C17H20FN5O3 — CID 119166807

IUPAC1-[3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanoyl]piperidine-4-carboxylic acid
SMILESCc1nnnn1C(Cc1cccc(F)c1)C(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C17H20FN5O3/c1-11-19-20-21-23(11)15(10-12-3-2-4-14(18)9-12)16(24)22-7-5-13(6-8-22)17(25)26/h2-4,9,13,15H,5-8,10H2,1H3,(H,25,26)
InChIKeyVWTWLYZBJVCITG-UHFFFAOYSA-N
MW361.38 g/mol
LogP1.23
Rot. Bonds5

About 1-[3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanoyl]piperidine-4-carboxylic acid

1-[3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanoyl]piperidine-4-carboxylic acid (PubChem CID 119166807) has the molecular formula C17H20FN5O3 and a molecular weight of 361.38 g/mol. Its IUPAC name is 1-[3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanoyl]piperidine-4-carboxylic acid
PubChem CID119166807
Molecular FormulaC17H20FN5O3
Molecular Weight361.38 g/mol
Exact Mass361.16
IUPAC Name1-[3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanoyl]piperidine-4-carboxylic acid
SMILESCc1nnnn1C(Cc1cccc(F)c1)C(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C17H20FN5O3/c1-11-19-20-21-23(11)15(10-12-3-2-4-14(18)9-12)16(24)22-7-5-13(6-8-22)17(25)26/h2-4,9,13,15H,5-8,10H2,1H3,(H,25,26)
InChIKeyVWTWLYZBJVCITG-UHFFFAOYSA-N
XLogP1.23
TPSA101.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.38
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-aminopiperidin-1-yl)-3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)propan-1-one;hydrochloride
CID 119374164
3-(3-fluorophenyl)-1-[4-(methylamino)piperidin-1-yl]-2-(5-methyltetrazol-1-yl)propan-1-one;hydrochloride
CID 119561159
3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)-1-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]propan-1-one
CID 112828850
1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)propan-1-one
CID 47048015
1-[3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanoyl]-N-(2-methylpropyl)piperidine-3-carboxamide
CID 47041474
1-[2-(4-ethynylphenyl)pyrrolidin-1-yl]-3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)propan-1-one
CID 166343594
1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-(5-methyltetrazol-1-yl)-3-phenylpropan-1-one
CID 111561044
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-(5-methyltetrazol-1-yl)-3-phenylpropan-1-one
CID 119647333
N-[2-(aminomethyl)cyclopentyl]-3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanamide
CID 119602128
4-[2-[[3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanoyl]amino]ethyl]benzoic acid
CID 119168903
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(5-methyltetrazol-1-yl)-3-phenylpropan-1-one;hydrochloride
CID 119624478
3-[[3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanoyl]amino]-2-methylpropanoic acid
CID 119237695

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanoyl]piperidine-4-carboxylic acid (CID 119166807) is 1-[3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanoyl]piperidine-4-carboxylic acid is Cc1nnnn1C(Cc1cccc(F)c1)C(=O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanoyl]piperidine-4-carboxylic acid?
The InChIKey is VWTWLYZBJVCITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN5O3/c1-11-19-20-21-23(11)15(10-12-3-2-4-14(18)9-12)16(24)22-7-5-13(6-8-22)17(25)26/h2-4,9,13,15H,5-8,10H2,1H3,(H,25,26).
What are the key properties of 1-[3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanoyl]piperidine-4-carboxylic acid?
1-[3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanoyl]piperidine-4-carboxylic acid has a molecular weight of 361.38 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 119166807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).