3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-piperidin-4-ylpropanamide;hydrochloride

C16H22ClFN6O — CID 119386064

IUPAC3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-piperidin-4-ylpropanamide;hydrochloride
SMILESCc1nnnn1C(Cc1ccc(F)cc1)C(=O)NC1CCNCC1.Cl
InChIInChI=1S/C16H21FN6O.ClH/c1-11-20-21-22-23(11)15(10-12-2-4-13(17)5-3-12)16(24)19-14-6-8-18-9-7-14;/h2-5,14-15,18H,6-10H2,1H3,(H,19,24);1H
InChIKeyCTRKYPRTKFYCLX-UHFFFAOYSA-N
MW368.84 g/mol
LogP1.19
Rot. Bonds5

About 3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-piperidin-4-ylpropanamide;hydrochloride

3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-piperidin-4-ylpropanamide;hydrochloride (PubChem CID 119386064) has the molecular formula C16H22ClFN6O and a molecular weight of 368.84 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-piperidin-4-ylpropanamide;hydrochloride.

Molecular Properties

Compound Name3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-piperidin-4-ylpropanamide;hydrochloride
PubChem CID119386064
Molecular FormulaC16H22ClFN6O
Molecular Weight368.84 g/mol
Exact Mass368.15
IUPAC Name3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-piperidin-4-ylpropanamide;hydrochloride
SMILESCc1nnnn1C(Cc1ccc(F)cc1)C(=O)NC1CCNCC1.Cl
InChIInChI=1S/C16H21FN6O.ClH/c1-11-20-21-22-23(11)15(10-12-2-4-13(17)5-3-12)16(24)19-14-6-8-18-9-7-14;/h2-5,14-15,18H,6-10H2,1H3,(H,19,24);1H
InChIKeyCTRKYPRTKFYCLX-UHFFFAOYSA-N
XLogP1.19
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.84
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(cycloheptylamino)ethyl]-3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanamide
CID 119619312
3-(4-fluorophenyl)-N-[2-(methylamino)ethyl]-2-(5-methyltetrazol-1-yl)propanamide;hydrochloride
CID 119500200
3-(4-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]-2-(5-methyltetrazol-1-yl)propanamide
CID 111464206
3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]propanamide
CID 55990581
3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-[2-(2,4,6-trimethylphenyl)ethyl]propanamide
CID 55878063
4-[[[3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanoyl]amino]methyl]oxane-4-carboxylic acid
CID 120542576
3-(3-fluorophenyl)-N-(2-methylpiperidin-3-yl)-2-(5-methyltetrazol-1-yl)propanamide
CID 120575920
N-[2-(5-bromothiophen-2-yl)ethyl]-3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanamide
CID 78880480
3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-(3-pyrazol-1-ylpropyl)propanamide
CID 47039371
N-[[6-(2,6-dimethylmorpholin-4-yl)-3-pyridinyl]methyl]-3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanamide
CID 55777030
2-[[[3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanoyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 119244757
3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 55970907

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-piperidin-4-ylpropanamide;hydrochloride?
The IUPAC name of 3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-piperidin-4-ylpropanamide;hydrochloride (CID 119386064) is 3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-piperidin-4-ylpropanamide;hydrochloride.
What is the SMILES notation for 3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-piperidin-4-ylpropanamide;hydrochloride?
The canonical SMILES for 3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-piperidin-4-ylpropanamide;hydrochloride is Cc1nnnn1C(Cc1ccc(F)cc1)C(=O)NC1CCNCC1.Cl.
What is the InChIKey of 3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-piperidin-4-ylpropanamide;hydrochloride?
The InChIKey is CTRKYPRTKFYCLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN6O.ClH/c1-11-20-21-22-23(11)15(10-12-2-4-13(17)5-3-12)16(24)19-14-6-8-18-9-7-14;/h2-5,14-15,18H,6-10H2,1H3,(H,19,24);1H.
What are the key properties of 3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-piperidin-4-ylpropanamide;hydrochloride?
3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-piperidin-4-ylpropanamide;hydrochloride has a molecular weight of 368.84 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-piperidin-4-ylpropanamide;hydrochloride is sourced from PubChem (CID 119386064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).