N-[(2-fluorophenyl)methyl]-N-methyl-2-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]acetamide

C20H24FN3O2S — CID 60538231

IUPACN-[(2-fluorophenyl)methyl]-N-methyl-2-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]acetamide
SMILESCc1ccc(C(=O)N2CCN(CC(=O)N(C)Cc3ccccc3F)CC2)s1
InChIInChI=1S/C20H24FN3O2S/c1-15-7-8-18(27-15)20(26)24-11-9-23(10-12-24)14-19(25)22(2)13-16-5-3-4-6-17(16)21/h3-8H,9-14H2,1-2H3
InChIKeyBYWZFAKYQNDQTK-UHFFFAOYSA-N
MW389.50 g/mol
LogP2.61
Rot. Bonds5

About N-[(2-fluorophenyl)methyl]-N-methyl-2-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]acetamide

N-[(2-fluorophenyl)methyl]-N-methyl-2-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]acetamide (PubChem CID 60538231) has the molecular formula C20H24FN3O2S and a molecular weight of 389.50 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-N-methyl-2-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-N-methyl-2-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]acetamide
PubChem CID60538231
Molecular FormulaC20H24FN3O2S
Molecular Weight389.50 g/mol
Exact Mass389.16
IUPAC NameN-[(2-fluorophenyl)methyl]-N-methyl-2-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]acetamide
SMILESCc1ccc(C(=O)N2CCN(CC(=O)N(C)Cc3ccccc3F)CC2)s1
InChIInChI=1S/C20H24FN3O2S/c1-15-7-8-18(27-15)20(26)24-11-9-23(10-12-24)14-19(25)22(2)13-16-5-3-4-6-17(16)21/h3-8H,9-14H2,1-2H3
InChIKeyBYWZFAKYQNDQTK-UHFFFAOYSA-N
XLogP2.61
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-fluorophenyl)methyl]-N-methyl-2-[4-(thiophene-3-carbonyl)-1,4-diazepan-1-yl]acetamide
CID 60523998
N-[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 4787297
2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide
CID 8559413
N-[(2-fluorophenyl)methyl]-N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 26570181
[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 4807256
(5-methylthiophen-2-yl)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone
CID 24549487
2-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]-N-phenylacetamide
CID 36817650
N-[(2-fluorophenyl)methyl]-2-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]-N-methylacetamide
CID 8997704
2-(3-aminopyrrolidin-1-yl)-N-[(2-fluorophenyl)methyl]-N-methylacetamide;hydrochloride
CID 119917364
2-[4-(cyclopropylmethylamino)piperidin-1-yl]-N-[(2-fluorophenyl)methyl]-N-methylacetamide
CID 119926329
N-[(2-fluorophenyl)methyl]-2-(3-formylpiperidin-1-yl)-N-methylacetamide
CID 62654574
N,N-diethyl-2-[4-[5-(2-fluorophenyl)thiophene-2-carbonyl]-1,4-diazepan-1-yl]acetamide
CID 55830153

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-N-methyl-2-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]acetamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-N-methyl-2-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]acetamide (CID 60538231) is N-[(2-fluorophenyl)methyl]-N-methyl-2-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-N-methyl-2-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-N-methyl-2-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]acetamide is Cc1ccc(C(=O)N2CCN(CC(=O)N(C)Cc3ccccc3F)CC2)s1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-N-methyl-2-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]acetamide?
The InChIKey is BYWZFAKYQNDQTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O2S/c1-15-7-8-18(27-15)20(26)24-11-9-23(10-12-24)14-19(25)22(2)13-16-5-3-4-6-17(16)21/h3-8H,9-14H2,1-2H3.
What are the key properties of N-[(2-fluorophenyl)methyl]-N-methyl-2-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]acetamide?
N-[(2-fluorophenyl)methyl]-N-methyl-2-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]acetamide has a molecular weight of 389.50 g/mol, XLogP of 2.61, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-N-methyl-2-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 60538231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).