[(2S)-pyrrolidin-2-yl]-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone;hydrochloride

C14H20ClN3O2S — CID 119298898

IUPAC[(2S)-pyrrolidin-2-yl]-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone;hydrochloride
SMILESCl.O=C(c1ccsc1)N1CCN(C(=O)[C@@H]2CCCN2)CC1
InChIInChI=1S/C14H19N3O2S.ClH/c18-13(11-3-9-20-10-11)16-5-7-17(8-6-16)14(19)12-2-1-4-15-12;/h3,9-10,12,15H,1-2,4-8H2;1H/t12-;/m0./s1
InChIKeyIPINIHZRATZVLI-YDALLXLXSA-N
MW329.85 g/mol
LogP1.21
Rot. Bonds2

About [(2S)-pyrrolidin-2-yl]-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone;hydrochloride

[(2S)-pyrrolidin-2-yl]-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone;hydrochloride (PubChem CID 119298898) has the molecular formula C14H20ClN3O2S and a molecular weight of 329.85 g/mol. Its IUPAC name is [(2S)-pyrrolidin-2-yl]-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name[(2S)-pyrrolidin-2-yl]-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone;hydrochloride
PubChem CID119298898
Molecular FormulaC14H20ClN3O2S
Molecular Weight329.85 g/mol
Exact Mass329.10
IUPAC Name[(2S)-pyrrolidin-2-yl]-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone;hydrochloride
SMILESCl.O=C(c1ccsc1)N1CCN(C(=O)[C@@H]2CCCN2)CC1
InChIInChI=1S/C14H19N3O2S.ClH/c18-13(11-3-9-20-10-11)16-5-7-17(8-6-16)14(19)12-2-1-4-15-12;/h3,9-10,12,15H,1-2,4-8H2;1H/t12-;/m0./s1
InChIKeyIPINIHZRATZVLI-YDALLXLXSA-N
XLogP1.21
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.85
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(2S)-pyrrolidin-2-yl]-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone;hydrochloride with MolForge

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Related Compounds

(3-methylpyrrolidin-2-yl)-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone
CID 102778824
(4-methylpiperazin-1-yl)-[(2S)-pyrrolidin-2-yl]methanone;dihydrochloride
CID 165429624
(2-aminocyclopentyl)-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone
CID 64823608
[(2S)-piperidin-2-yl]-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone;hydrochloride
CID 119689038
[4-(2-hydroxybenzoyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone
CID 119294607
[4-(4-methoxybenzoyl)piperazin-1-yl]-piperidin-2-ylmethanone;hydrochloride
CID 119281944
[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone
CID 119282011
[4-(2,3-dichlorobenzoyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone;hydrochloride
CID 119287866
[4-(3-chlorobenzoyl)piperazin-1-yl]-piperidin-2-ylmethanone;hydrochloride
CID 119278834
[4-(3-fluorobenzoyl)piperazin-1-yl]-piperidin-2-ylmethanone;hydrochloride
CID 119282032
morpholin-2-yl-[4-(thiophene-3-carbonyl)-1,4-diazepan-1-yl]methanone;hydrochloride
CID 119738862
cyclopropyl-[4-[(2S)-pyrrolidine-2-carbonyl]piperazin-1-yl]methanone;hydrochloride
CID 71888790

Frequently Asked Questions

What is the IUPAC name of [(2S)-pyrrolidin-2-yl]-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone;hydrochloride?
The IUPAC name of [(2S)-pyrrolidin-2-yl]-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone;hydrochloride (CID 119298898) is [(2S)-pyrrolidin-2-yl]-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone;hydrochloride.
What is the SMILES notation for [(2S)-pyrrolidin-2-yl]-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone;hydrochloride?
The canonical SMILES for [(2S)-pyrrolidin-2-yl]-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone;hydrochloride is Cl.O=C(c1ccsc1)N1CCN(C(=O)[C@@H]2CCCN2)CC1.
What is the InChIKey of [(2S)-pyrrolidin-2-yl]-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone;hydrochloride?
The InChIKey is IPINIHZRATZVLI-YDALLXLXSA-N. The full InChI is InChI=1S/C14H19N3O2S.ClH/c18-13(11-3-9-20-10-11)16-5-7-17(8-6-16)14(19)12-2-1-4-15-12;/h3,9-10,12,15H,1-2,4-8H2;1H/t12-;/m0./s1.
What are the key properties of [(2S)-pyrrolidin-2-yl]-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone;hydrochloride?
[(2S)-pyrrolidin-2-yl]-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone;hydrochloride has a molecular weight of 329.85 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-pyrrolidin-2-yl]-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 119298898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).