[5-[4-(difluoromethoxy)phenyl]thiophen-2-yl]-piperazin-1-ylmethanone

C16H16F2N2O2S — CID 119402846

IUPAC[5-[4-(difluoromethoxy)phenyl]thiophen-2-yl]-piperazin-1-ylmethanone
SMILESO=C(c1ccc(-c2ccc(OC(F)F)cc2)s1)N1CCNCC1
InChIInChI=1S/C16H16F2N2O2S/c17-16(18)22-12-3-1-11(2-4-12)13-5-6-14(23-13)15(21)20-9-7-19-8-10-20/h1-6,16,19H,7-10H2
InChIKeyYMGYIUJCKVETEW-UHFFFAOYSA-N
MW338.38 g/mol
LogP3.06
Rot. Bonds4

About [5-[4-(difluoromethoxy)phenyl]thiophen-2-yl]-piperazin-1-ylmethanone

[5-[4-(difluoromethoxy)phenyl]thiophen-2-yl]-piperazin-1-ylmethanone (PubChem CID 119402846) has the molecular formula C16H16F2N2O2S and a molecular weight of 338.38 g/mol. Its IUPAC name is [5-[4-(difluoromethoxy)phenyl]thiophen-2-yl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[5-[4-(difluoromethoxy)phenyl]thiophen-2-yl]-piperazin-1-ylmethanone
PubChem CID119402846
Molecular FormulaC16H16F2N2O2S
Molecular Weight338.38 g/mol
Exact Mass338.09
IUPAC Name[5-[4-(difluoromethoxy)phenyl]thiophen-2-yl]-piperazin-1-ylmethanone
SMILESO=C(c1ccc(-c2ccc(OC(F)F)cc2)s1)N1CCNCC1
InChIInChI=1S/C16H16F2N2O2S/c17-16(18)22-12-3-1-11(2-4-12)13-5-6-14(23-13)15(21)20-9-7-19-8-10-20/h1-6,16,19H,7-10H2
InChIKeyYMGYIUJCKVETEW-UHFFFAOYSA-N
XLogP3.06
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,9-diazabicyclo[4.2.1]nonan-3-yl-[5-[4-(difluoromethoxy)phenyl]thiophen-2-yl]methanone
CID 119638226
1-[5-[4-(difluoromethoxy)phenyl]thiophene-2-carbonyl]-3-fluoropyrrolidine-3-carboxylic acid
CID 119259014
[2-(aminomethyl)piperidin-1-yl]-[5-[4-(difluoromethoxy)phenyl]thiophen-2-yl]methanone
CID 119468773
5-[4-(difluoromethoxy)phenyl]-N-piperidin-4-yl-N-propylthiophene-2-carboxamide;hydrochloride
CID 119825454
5-[4-(difluoromethoxy)phenyl]thiophene-2-carbonyl azide
CID 54562446
5-(4-propan-2-yloxyphenyl)thiophene-2-carboxylic acid
CID 28941882
[4-(1-aminoethyl)piperidin-1-yl]-[5-[4-(trifluoromethoxy)phenyl]thiophen-2-yl]methanone
CID 119517623
4-[[5-[4-(difluoromethoxy)phenyl]thiophene-2-carbonyl]-methylamino]butanoic acid
CID 119173095
3-[[5-[4-(difluoromethoxy)phenyl]thiophene-2-carbonyl]amino]butanoic acid
CID 119221199
[4-(difluoromethoxy)phenyl]-[4-(4-fluorobenzoyl)piperazin-1-yl]methanone
CID 38387477
N-(1-aminopropan-2-yl)-5-[4-(difluoromethoxy)phenyl]-N-methylthiophene-2-carboxamide
CID 119584154
[4-(cyclopropylmethylamino)piperidin-1-yl]-[5-(4-fluorophenyl)thiophen-2-yl]methanone
CID 119621700

Frequently Asked Questions

What is the IUPAC name of [5-[4-(difluoromethoxy)phenyl]thiophen-2-yl]-piperazin-1-ylmethanone?
The IUPAC name of [5-[4-(difluoromethoxy)phenyl]thiophen-2-yl]-piperazin-1-ylmethanone (CID 119402846) is [5-[4-(difluoromethoxy)phenyl]thiophen-2-yl]-piperazin-1-ylmethanone.
What is the SMILES notation for [5-[4-(difluoromethoxy)phenyl]thiophen-2-yl]-piperazin-1-ylmethanone?
The canonical SMILES for [5-[4-(difluoromethoxy)phenyl]thiophen-2-yl]-piperazin-1-ylmethanone is O=C(c1ccc(-c2ccc(OC(F)F)cc2)s1)N1CCNCC1.
What is the InChIKey of [5-[4-(difluoromethoxy)phenyl]thiophen-2-yl]-piperazin-1-ylmethanone?
The InChIKey is YMGYIUJCKVETEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O2S/c17-16(18)22-12-3-1-11(2-4-12)13-5-6-14(23-13)15(21)20-9-7-19-8-10-20/h1-6,16,19H,7-10H2.
What are the key properties of [5-[4-(difluoromethoxy)phenyl]thiophen-2-yl]-piperazin-1-ylmethanone?
[5-[4-(difluoromethoxy)phenyl]thiophen-2-yl]-piperazin-1-ylmethanone has a molecular weight of 338.38 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[4-(difluoromethoxy)phenyl]thiophen-2-yl]-piperazin-1-ylmethanone is sourced from PubChem (CID 119402846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).