2-[4-(3-fluorobenzoyl)piperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide;hydrochloride

C19H22ClFN2O2S — CID 12004582

IUPAC2-[4-(3-fluorobenzoyl)piperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide;hydrochloride
SMILESCl.O=C(CN1CCC(C(=O)c2cccc(F)c2)CC1)NCc1cccs1
InChIInChI=1S/C19H21FN2O2S.ClH/c20-16-4-1-3-15(11-16)19(24)14-6-8-22(9-7-14)13-18(23)21-12-17-5-2-10-25-17;/h1-5,10-11,14H,6-9,12-13H2,(H,21,23);1H
InChIKeyOBDHRIMHCDEJGX-UHFFFAOYSA-N
MW396.92 g/mol
LogP3.52
Rot. Bonds6

About 2-[4-(3-fluorobenzoyl)piperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide;hydrochloride

2-[4-(3-fluorobenzoyl)piperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide;hydrochloride (PubChem CID 12004582) has the molecular formula C19H22ClFN2O2S and a molecular weight of 396.92 g/mol. Its IUPAC name is 2-[4-(3-fluorobenzoyl)piperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-[4-(3-fluorobenzoyl)piperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide;hydrochloride
PubChem CID12004582
Molecular FormulaC19H22ClFN2O2S
Molecular Weight396.92 g/mol
Exact Mass396.11
IUPAC Name2-[4-(3-fluorobenzoyl)piperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide;hydrochloride
SMILESCl.O=C(CN1CCC(C(=O)c2cccc(F)c2)CC1)NCc1cccs1
InChIInChI=1S/C19H21FN2O2S.ClH/c20-16-4-1-3-15(11-16)19(24)14-6-8-22(9-7-14)13-18(23)21-12-17-5-2-10-25-17;/h1-5,10-11,14H,6-9,12-13H2,(H,21,23);1H
InChIKeyOBDHRIMHCDEJGX-UHFFFAOYSA-N
XLogP3.52
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.92
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-fluorobenzoyl)piperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide;hydrochloride?
The IUPAC name of 2-[4-(3-fluorobenzoyl)piperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide;hydrochloride (CID 12004582) is 2-[4-(3-fluorobenzoyl)piperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide;hydrochloride.
What is the SMILES notation for 2-[4-(3-fluorobenzoyl)piperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide;hydrochloride?
The canonical SMILES for 2-[4-(3-fluorobenzoyl)piperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide;hydrochloride is Cl.O=C(CN1CCC(C(=O)c2cccc(F)c2)CC1)NCc1cccs1.
What is the InChIKey of 2-[4-(3-fluorobenzoyl)piperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide;hydrochloride?
The InChIKey is OBDHRIMHCDEJGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O2S.ClH/c20-16-4-1-3-15(11-16)19(24)14-6-8-22(9-7-14)13-18(23)21-12-17-5-2-10-25-17;/h1-5,10-11,14H,6-9,12-13H2,(H,21,23);1H.
What are the key properties of 2-[4-(3-fluorobenzoyl)piperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide;hydrochloride?
2-[4-(3-fluorobenzoyl)piperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide;hydrochloride has a molecular weight of 396.92 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-fluorobenzoyl)piperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide;hydrochloride is sourced from PubChem (CID 12004582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).