(2R)-2-[4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]propanamide

C18H22FN3OS — CID 35262712

IUPAC(2R)-2-[4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]propanamide
SMILESC[C@H](C(N)=O)N1CCN(Cc2ccc(-c3ccccc3F)s2)CC1
InChIInChI=1S/C18H22FN3OS/c1-13(18(20)23)22-10-8-21(9-11-22)12-14-6-7-17(24-14)15-4-2-3-5-16(15)19/h2-7,13H,8-12H2,1H3,(H2,20,23)/t13-/m1/s1
InChIKeyAMUWWJDYGRWJGI-CYBMUJFWSA-N
MW347.46 g/mol
LogP2.55
Rot. Bonds5

About (2R)-2-[4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]propanamide

(2R)-2-[4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]propanamide (PubChem CID 35262712) has the molecular formula C18H22FN3OS and a molecular weight of 347.46 g/mol. Its IUPAC name is (2R)-2-[4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]propanamide.

Molecular Properties

Compound Name(2R)-2-[4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]propanamide
PubChem CID35262712
Molecular FormulaC18H22FN3OS
Molecular Weight347.46 g/mol
Exact Mass347.15
IUPAC Name(2R)-2-[4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]propanamide
SMILESC[C@H](C(N)=O)N1CCN(Cc2ccc(-c3ccccc3F)s2)CC1
InChIInChI=1S/C18H22FN3OS/c1-13(18(20)23)22-10-8-21(9-11-22)12-14-6-7-17(24-14)15-4-2-3-5-16(15)19/h2-7,13H,8-12H2,1H3,(H2,20,23)/t13-/m1/s1
InChIKeyAMUWWJDYGRWJGI-CYBMUJFWSA-N
XLogP2.55
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[[5-(4-chlorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]propanamide
CID 42948770
1-[4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-2-(methylamino)ethanone;hydrochloride
CID 120703611
N-[2-[4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-2-oxoethyl]-2-methylbutanamide
CID 55940485
1-[1-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]pyrrolidin-3-yl]ethanol
CID 110022563
N-cyclopropyl-4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazine-1-carboxamide
CID 56808058
1-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]-4-propylsulfonylpiperazine
CID 55573570
(2S)-2-[4-[[5-(2-chlorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-N-(methylcarbamoyl)propanamide
CID 35261539
[4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 55573164
[4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-morpholin-3-ylmethanone
CID 119854290
1-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]-4-(1-phenyltetrazol-5-yl)piperazine
CID 36726239
(2R)-N-carbamoyl-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]propanamide
CID 32721522
(2R)-2-[[5-(2-fluorophenyl)thiophen-2-yl]methylamino]-3-methylbutanoic acid
CID 120511126

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]propanamide?
The IUPAC name of (2R)-2-[4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]propanamide (CID 35262712) is (2R)-2-[4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]propanamide.
What is the SMILES notation for (2R)-2-[4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]propanamide?
The canonical SMILES for (2R)-2-[4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]propanamide is C[C@H](C(N)=O)N1CCN(Cc2ccc(-c3ccccc3F)s2)CC1.
What is the InChIKey of (2R)-2-[4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]propanamide?
The InChIKey is AMUWWJDYGRWJGI-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H22FN3OS/c1-13(18(20)23)22-10-8-21(9-11-22)12-14-6-7-17(24-14)15-4-2-3-5-16(15)19/h2-7,13H,8-12H2,1H3,(H2,20,23)/t13-/m1/s1.
What are the key properties of (2R)-2-[4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]propanamide?
(2R)-2-[4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]propanamide has a molecular weight of 347.46 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-[[5-(2-fluorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 35262712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).