3-(3-fluorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(5-methyltetrazol-1-yl)propanamide

C19H27FN6O2 — CID 120888827

IUPAC3-(3-fluorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(5-methyltetrazol-1-yl)propanamide
SMILESCOCC1(CNC(=O)C(Cc2cccc(F)c2)n2nnnc2C)CCNCC1
InChIInChI=1S/C19H27FN6O2/c1-14-23-24-25-26(14)17(11-15-4-3-5-16(20)10-15)18(27)22-12-19(13-28-2)6-8-21-9-7-19/h3-5,10,17,21H,6-9,11-13H2,1-2H3,(H,22,27)
InChIKeyURDGHNZMPDROMO-UHFFFAOYSA-N
MW390.46 g/mol
LogP1.04
Rot. Bonds8

About 3-(3-fluorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(5-methyltetrazol-1-yl)propanamide

3-(3-fluorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(5-methyltetrazol-1-yl)propanamide (PubChem CID 120888827) has the molecular formula C19H27FN6O2 and a molecular weight of 390.46 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(5-methyltetrazol-1-yl)propanamide.

Molecular Properties

Compound Name3-(3-fluorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(5-methyltetrazol-1-yl)propanamide
PubChem CID120888827
Molecular FormulaC19H27FN6O2
Molecular Weight390.46 g/mol
Exact Mass390.22
IUPAC Name3-(3-fluorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(5-methyltetrazol-1-yl)propanamide
SMILESCOCC1(CNC(=O)C(Cc2cccc(F)c2)n2nnnc2C)CCNCC1
InChIInChI=1S/C19H27FN6O2/c1-14-23-24-25-26(14)17(11-15-4-3-5-16(20)10-15)18(27)22-12-19(13-28-2)6-8-21-9-7-19/h3-5,10,17,21H,6-9,11-13H2,1-2H3,(H,22,27)
InChIKeyURDGHNZMPDROMO-UHFFFAOYSA-N
XLogP1.04
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(5-methyltetrazol-1-yl)-3-phenylpropanamide
CID 120888731
3-[[3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanoyl]amino]-2-methylpropanoic acid
CID 119237695
3-(3-fluorophenyl)-N-(2-methylpiperidin-3-yl)-2-(5-methyltetrazol-1-yl)propanamide
CID 120575920
4-[2-[[3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanoyl]amino]ethyl]benzoic acid
CID 119168903
N-[2-(3-but-3-ynyldiazirin-3-yl)ethyl]-3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanamide
CID 166416460
3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-(oxolan-3-ylmethyl)propanamide
CID 51082128
3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-(4-propylphenyl)propanamide
CID 112828978
3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-piperidin-4-ylpropanamide;hydrochloride
CID 119386064
4-[[[3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanoyl]amino]methyl]oxane-4-carboxylic acid
CID 120542576
3-(3-fluorophenyl)-1-[4-(methylamino)piperidin-1-yl]-2-(5-methyltetrazol-1-yl)propan-1-one;hydrochloride
CID 119561159
1-(3-fluorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]cyclopentane-1-carboxamide
CID 120890611
3-(3-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)propanamide
CID 78879461

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(5-methyltetrazol-1-yl)propanamide?
The IUPAC name of 3-(3-fluorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(5-methyltetrazol-1-yl)propanamide (CID 120888827) is 3-(3-fluorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(5-methyltetrazol-1-yl)propanamide.
What is the SMILES notation for 3-(3-fluorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(5-methyltetrazol-1-yl)propanamide?
The canonical SMILES for 3-(3-fluorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(5-methyltetrazol-1-yl)propanamide is COCC1(CNC(=O)C(Cc2cccc(F)c2)n2nnnc2C)CCNCC1.
What is the InChIKey of 3-(3-fluorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(5-methyltetrazol-1-yl)propanamide?
The InChIKey is URDGHNZMPDROMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN6O2/c1-14-23-24-25-26(14)17(11-15-4-3-5-16(20)10-15)18(27)22-12-19(13-28-2)6-8-21-9-7-19/h3-5,10,17,21H,6-9,11-13H2,1-2H3,(H,22,27).
What are the key properties of 3-(3-fluorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(5-methyltetrazol-1-yl)propanamide?
3-(3-fluorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(5-methyltetrazol-1-yl)propanamide has a molecular weight of 390.46 g/mol, XLogP of 1.04, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-(5-methyltetrazol-1-yl)propanamide is sourced from PubChem (CID 120888827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).