(2S)-N-cyclopropyl-2-[4-[(7-fluoro-1-benzothiophen-3-yl)methyl]piperazin-1-yl]propanamide

C19H24FN3OS — CID 95975224

IUPAC(2S)-N-cyclopropyl-2-[4-[(7-fluoro-1-benzothiophen-3-yl)methyl]piperazin-1-yl]propanamide
SMILESC[C@@H](C(=O)NC1CC1)N1CCN(Cc2csc3c(F)cccc23)CC1
InChIInChI=1S/C19H24FN3OS/c1-13(19(24)21-15-5-6-15)23-9-7-22(8-10-23)11-14-12-25-18-16(14)3-2-4-17(18)20/h2-4,12-13,15H,5-11H2,1H3,(H,21,24)/t13-/m0/s1
InChIKeyJTYWMTGZCXBSLM-ZDUSSCGKSA-N
MW361.49 g/mol
LogP2.83
Rot. Bonds5

About (2S)-N-cyclopropyl-2-[4-[(7-fluoro-1-benzothiophen-3-yl)methyl]piperazin-1-yl]propanamide

(2S)-N-cyclopropyl-2-[4-[(7-fluoro-1-benzothiophen-3-yl)methyl]piperazin-1-yl]propanamide (PubChem CID 95975224) has the molecular formula C19H24FN3OS and a molecular weight of 361.49 g/mol. Its IUPAC name is (2S)-N-cyclopropyl-2-[4-[(7-fluoro-1-benzothiophen-3-yl)methyl]piperazin-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-cyclopropyl-2-[4-[(7-fluoro-1-benzothiophen-3-yl)methyl]piperazin-1-yl]propanamide
PubChem CID95975224
Molecular FormulaC19H24FN3OS
Molecular Weight361.49 g/mol
Exact Mass361.16
IUPAC Name(2S)-N-cyclopropyl-2-[4-[(7-fluoro-1-benzothiophen-3-yl)methyl]piperazin-1-yl]propanamide
SMILESC[C@@H](C(=O)NC1CC1)N1CCN(Cc2csc3c(F)cccc23)CC1
InChIInChI=1S/C19H24FN3OS/c1-13(19(24)21-15-5-6-15)23-9-7-22(8-10-23)11-14-12-25-18-16(14)3-2-4-17(18)20/h2-4,12-13,15H,5-11H2,1H3,(H,21,24)/t13-/m0/s1
InChIKeyJTYWMTGZCXBSLM-ZDUSSCGKSA-N
XLogP2.83
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-cyclopropyl-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]propanamide
CID 31688904
(2S)-N-cyclopropyl-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]propanamide
CID 9047076
(2R)-N-cyclopropyl-2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]propanamide
CID 8720757
2-[4-[(2-bromophenyl)methyl]piperazin-1-yl]-N-cyclopropylpropanamide
CID 46514218
N-cyclopropyl-2-[4-[(2-nitrophenyl)methyl]piperazin-1-yl]propanamide
CID 43043050
2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-phenylpropanamide
CID 46802310
2-[4-[(3-bromophenyl)methyl]piperazin-1-yl]-N-cyclopropylpropanamide
CID 51301703
2-[4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl]-N-cyclopropylpropanamide
CID 51325438
(2S)-2-(4-benzylpiperazin-1-yl)-N-cyclopentylpropanamide
CID 2410459
2-[4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl]-N-cyclopropylpropanamide
CID 46700299
(2S)-2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-fluorophenyl)propanamide
CID 30736259
(2S)-2-(4-benzylpiperazin-1-yl)-N-cyclohexylpropanamide
CID 51613241

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cyclopropyl-2-[4-[(7-fluoro-1-benzothiophen-3-yl)methyl]piperazin-1-yl]propanamide?
The IUPAC name of (2S)-N-cyclopropyl-2-[4-[(7-fluoro-1-benzothiophen-3-yl)methyl]piperazin-1-yl]propanamide (CID 95975224) is (2S)-N-cyclopropyl-2-[4-[(7-fluoro-1-benzothiophen-3-yl)methyl]piperazin-1-yl]propanamide.
What is the SMILES notation for (2S)-N-cyclopropyl-2-[4-[(7-fluoro-1-benzothiophen-3-yl)methyl]piperazin-1-yl]propanamide?
The canonical SMILES for (2S)-N-cyclopropyl-2-[4-[(7-fluoro-1-benzothiophen-3-yl)methyl]piperazin-1-yl]propanamide is C[C@@H](C(=O)NC1CC1)N1CCN(Cc2csc3c(F)cccc23)CC1.
What is the InChIKey of (2S)-N-cyclopropyl-2-[4-[(7-fluoro-1-benzothiophen-3-yl)methyl]piperazin-1-yl]propanamide?
The InChIKey is JTYWMTGZCXBSLM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H24FN3OS/c1-13(19(24)21-15-5-6-15)23-9-7-22(8-10-23)11-14-12-25-18-16(14)3-2-4-17(18)20/h2-4,12-13,15H,5-11H2,1H3,(H,21,24)/t13-/m0/s1.
What are the key properties of (2S)-N-cyclopropyl-2-[4-[(7-fluoro-1-benzothiophen-3-yl)methyl]piperazin-1-yl]propanamide?
(2S)-N-cyclopropyl-2-[4-[(7-fluoro-1-benzothiophen-3-yl)methyl]piperazin-1-yl]propanamide has a molecular weight of 361.49 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cyclopropyl-2-[4-[(7-fluoro-1-benzothiophen-3-yl)methyl]piperazin-1-yl]propanamide is sourced from PubChem (CID 95975224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).