2-[(4-fluorophenyl)methylcarbamoylamino]-N-(piperidin-3-ylmethyl)acetamide;hydrochloride

C16H24ClFN4O2 — CID 86813740

IUPAC2-[(4-fluorophenyl)methylcarbamoylamino]-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
SMILESCl.O=C(CNC(=O)NCc1ccc(F)cc1)NCC1CCCNC1
InChIInChI=1S/C16H23FN4O2.ClH/c17-14-5-3-12(4-6-14)9-20-16(23)21-11-15(22)19-10-13-2-1-7-18-8-13;/h3-6,13,18H,1-2,7-11H2,(H,19,22)(H2,20,21,23);1H
InChIKeyBOTHDAWURMCPDO-UHFFFAOYSA-N
MW358.85 g/mol
LogP1.16
Rot. Bonds6

About 2-[(4-fluorophenyl)methylcarbamoylamino]-N-(piperidin-3-ylmethyl)acetamide;hydrochloride

2-[(4-fluorophenyl)methylcarbamoylamino]-N-(piperidin-3-ylmethyl)acetamide;hydrochloride (PubChem CID 86813740) has the molecular formula C16H24ClFN4O2 and a molecular weight of 358.85 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methylcarbamoylamino]-N-(piperidin-3-ylmethyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methylcarbamoylamino]-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
PubChem CID86813740
Molecular FormulaC16H24ClFN4O2
Molecular Weight358.85 g/mol
Exact Mass358.16
IUPAC Name2-[(4-fluorophenyl)methylcarbamoylamino]-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
SMILESCl.O=C(CNC(=O)NCc1ccc(F)cc1)NCC1CCCNC1
InChIInChI=1S/C16H23FN4O2.ClH/c17-14-5-3-12(4-6-14)9-20-16(23)21-11-15(22)19-10-13-2-1-7-18-8-13;/h3-6,13,18H,1-2,7-11H2,(H,19,22)(H2,20,21,23);1H
InChIKeyBOTHDAWURMCPDO-UHFFFAOYSA-N
XLogP1.16
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.85
LogP ≤ 51.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-fluorophenyl)-N-[2-oxo-2-(piperidin-3-ylmethylamino)ethyl]acetamide
CID 119461967
4-(4-fluorophenyl)-4-oxo-N-(piperidin-3-ylmethyl)butanamide;hydrochloride
CID 119462905
4-fluoro-N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119462898
1-[(4-fluorophenyl)methyl]-3-[[3-[[(4-fluorophenyl)methylcarbamoylamino]methyl]cyclohexyl]methyl]urea
CID 43835587
3-(4-fluorophenyl)-N-(pyrrolidin-3-ylmethyl)propanamide;hydrochloride
CID 91660400
3-(4-methylphenyl)-N-[2-oxo-2-(piperidin-3-ylmethylamino)ethyl]propanamide
CID 119462114
2-phenyl-N-[[(3R)-piperidin-3-yl]methyl]acetamide;hydrochloride
CID 166436266
2-[ethyl(piperidin-3-ylmethyl)amino]-N-[(4-fluorophenyl)methyl]acetamide;hydrochloride
CID 119929420
2,2-dimethyl-N-[2-oxo-2-(piperidin-3-ylmethylamino)ethyl]propanamide;hydrochloride
CID 119462428
2-(4-fluorophenyl)-N-(2-piperidin-3-ylethyl)acetamide
CID 60894094
3-(4-fluorophenyl)-N-[2-[(3S)-piperidin-3-yl]ethyl]propanamide
CID 99776078
N-(piperidin-3-ylmethyl)-2-[4-(trifluoromethoxy)phenyl]acetamide;hydrochloride
CID 119464429

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methylcarbamoylamino]-N-(piperidin-3-ylmethyl)acetamide;hydrochloride?
The IUPAC name of 2-[(4-fluorophenyl)methylcarbamoylamino]-N-(piperidin-3-ylmethyl)acetamide;hydrochloride (CID 86813740) is 2-[(4-fluorophenyl)methylcarbamoylamino]-N-(piperidin-3-ylmethyl)acetamide;hydrochloride.
What is the SMILES notation for 2-[(4-fluorophenyl)methylcarbamoylamino]-N-(piperidin-3-ylmethyl)acetamide;hydrochloride?
The canonical SMILES for 2-[(4-fluorophenyl)methylcarbamoylamino]-N-(piperidin-3-ylmethyl)acetamide;hydrochloride is Cl.O=C(CNC(=O)NCc1ccc(F)cc1)NCC1CCCNC1.
What is the InChIKey of 2-[(4-fluorophenyl)methylcarbamoylamino]-N-(piperidin-3-ylmethyl)acetamide;hydrochloride?
The InChIKey is BOTHDAWURMCPDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN4O2.ClH/c17-14-5-3-12(4-6-14)9-20-16(23)21-11-15(22)19-10-13-2-1-7-18-8-13;/h3-6,13,18H,1-2,7-11H2,(H,19,22)(H2,20,21,23);1H.
What are the key properties of 2-[(4-fluorophenyl)methylcarbamoylamino]-N-(piperidin-3-ylmethyl)acetamide;hydrochloride?
2-[(4-fluorophenyl)methylcarbamoylamino]-N-(piperidin-3-ylmethyl)acetamide;hydrochloride has a molecular weight of 358.85 g/mol, XLogP of 1.16, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methylcarbamoylamino]-N-(piperidin-3-ylmethyl)acetamide;hydrochloride is sourced from PubChem (CID 86813740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).