3-(3-fluorophenyl)-N-(2-methylpiperidin-3-yl)-2-(5-methyltetrazol-1-yl)propanamide

C17H23FN6O — CID 120575920

IUPAC3-(3-fluorophenyl)-N-(2-methylpiperidin-3-yl)-2-(5-methyltetrazol-1-yl)propanamide
SMILESCc1nnnn1C(Cc1cccc(F)c1)C(=O)NC1CCCNC1C
InChIInChI=1S/C17H23FN6O/c1-11-15(7-4-8-19-11)20-17(25)16(24-12(2)21-22-23-24)10-13-5-3-6-14(18)9-13/h3,5-6,9,11,15-16,19H,4,7-8,10H2,1-2H3,(H,20,25)
InChIKeyOKYPUXOXLUXNPX-UHFFFAOYSA-N
MW346.41 g/mol
LogP1.16
Rot. Bonds5

About 3-(3-fluorophenyl)-N-(2-methylpiperidin-3-yl)-2-(5-methyltetrazol-1-yl)propanamide

3-(3-fluorophenyl)-N-(2-methylpiperidin-3-yl)-2-(5-methyltetrazol-1-yl)propanamide (PubChem CID 120575920) has the molecular formula C17H23FN6O and a molecular weight of 346.41 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-N-(2-methylpiperidin-3-yl)-2-(5-methyltetrazol-1-yl)propanamide.

Molecular Properties

Compound Name3-(3-fluorophenyl)-N-(2-methylpiperidin-3-yl)-2-(5-methyltetrazol-1-yl)propanamide
PubChem CID120575920
Molecular FormulaC17H23FN6O
Molecular Weight346.41 g/mol
Exact Mass346.19
IUPAC Name3-(3-fluorophenyl)-N-(2-methylpiperidin-3-yl)-2-(5-methyltetrazol-1-yl)propanamide
SMILESCc1nnnn1C(Cc1cccc(F)c1)C(=O)NC1CCCNC1C
InChIInChI=1S/C17H23FN6O/c1-11-15(7-4-8-19-11)20-17(25)16(24-12(2)21-22-23-24)10-13-5-3-6-14(18)9-13/h3,5-6,9,11,15-16,19H,4,7-8,10H2,1-2H3,(H,20,25)
InChIKeyOKYPUXOXLUXNPX-UHFFFAOYSA-N
XLogP1.16
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(aminomethyl)cyclopentyl]-3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanamide
CID 119602128
3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propanamide
CID 78879461
3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-(oxolan-3-ylmethyl)propanamide
CID 51082128
4-[2-[[3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanoyl]amino]ethyl]benzoic acid
CID 119168903
3-[[3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanoyl]amino]-2-methylpropanoic acid
CID 119237695
3-(3-fluorophenyl)-1-[4-(methylamino)piperidin-1-yl]-2-(5-methyltetrazol-1-yl)propan-1-one;hydrochloride
CID 119561159
3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-piperidin-4-ylpropanamide;hydrochloride
CID 119386064
3-(3-fluorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(5-methyltetrazol-1-yl)propanamide
CID 120888827
3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-(4-propylphenyl)propanamide
CID 112828978
1-[3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanoyl]piperidine-4-carboxylic acid
CID 119166807
1-(4-aminopiperidin-1-yl)-3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)propan-1-one;hydrochloride
CID 119374164
3-(4-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]-2-(5-methyltetrazol-1-yl)propanamide
CID 111464206

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-N-(2-methylpiperidin-3-yl)-2-(5-methyltetrazol-1-yl)propanamide?
The IUPAC name of 3-(3-fluorophenyl)-N-(2-methylpiperidin-3-yl)-2-(5-methyltetrazol-1-yl)propanamide (CID 120575920) is 3-(3-fluorophenyl)-N-(2-methylpiperidin-3-yl)-2-(5-methyltetrazol-1-yl)propanamide.
What is the SMILES notation for 3-(3-fluorophenyl)-N-(2-methylpiperidin-3-yl)-2-(5-methyltetrazol-1-yl)propanamide?
The canonical SMILES for 3-(3-fluorophenyl)-N-(2-methylpiperidin-3-yl)-2-(5-methyltetrazol-1-yl)propanamide is Cc1nnnn1C(Cc1cccc(F)c1)C(=O)NC1CCCNC1C.
What is the InChIKey of 3-(3-fluorophenyl)-N-(2-methylpiperidin-3-yl)-2-(5-methyltetrazol-1-yl)propanamide?
The InChIKey is OKYPUXOXLUXNPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN6O/c1-11-15(7-4-8-19-11)20-17(25)16(24-12(2)21-22-23-24)10-13-5-3-6-14(18)9-13/h3,5-6,9,11,15-16,19H,4,7-8,10H2,1-2H3,(H,20,25).
What are the key properties of 3-(3-fluorophenyl)-N-(2-methylpiperidin-3-yl)-2-(5-methyltetrazol-1-yl)propanamide?
3-(3-fluorophenyl)-N-(2-methylpiperidin-3-yl)-2-(5-methyltetrazol-1-yl)propanamide has a molecular weight of 346.41 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-N-(2-methylpiperidin-3-yl)-2-(5-methyltetrazol-1-yl)propanamide is sourced from PubChem (CID 120575920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).