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

C15H22ClN3O2S — CID 119689038

IUPAC[(2S)-piperidin-2-yl]-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone;hydrochloride
SMILESCl.O=C(c1cccs1)N1CCN(C(=O)[C@@H]2CCCCN2)CC1
InChIInChI=1S/C15H21N3O2S.ClH/c19-14(12-4-1-2-6-16-12)17-7-9-18(10-8-17)15(20)13-5-3-11-21-13;/h3,5,11-12,16H,1-2,4,6-10H2;1H/t12-;/m0./s1
InChIKeyLQDAOOOOPRAIAL-YDALLXLXSA-N
MW343.88 g/mol
LogP1.60
Rot. Bonds2

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

[(2S)-piperidin-2-yl]-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone;hydrochloride (PubChem CID 119689038) has the molecular formula C15H22ClN3O2S and a molecular weight of 343.88 g/mol. Its IUPAC name is [(2S)-piperidin-2-yl]-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name[(2S)-piperidin-2-yl]-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone;hydrochloride
PubChem CID119689038
Molecular FormulaC15H22ClN3O2S
Molecular Weight343.88 g/mol
Exact Mass343.11
IUPAC Name[(2S)-piperidin-2-yl]-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone;hydrochloride
SMILESCl.O=C(c1cccs1)N1CCN(C(=O)[C@@H]2CCCCN2)CC1
InChIInChI=1S/C15H21N3O2S.ClH/c19-14(12-4-1-2-6-16-12)17-7-9-18(10-8-17)15(20)13-5-3-11-21-13;/h3,5,11-12,16H,1-2,4,6-10H2;1H/t12-;/m0./s1
InChIKeyLQDAOOOOPRAIAL-YDALLXLXSA-N
XLogP1.60
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.88
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

piperidin-2-yl-[4-(thiophen-2-ylmethyl)piperazin-1-yl]methanone
CID 60937029
2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone
CID 119270995
azepan-2-yl(thiophen-2-yl)methanone
CID 116582716
[4-(3-chlorobenzoyl)piperazin-1-yl]-piperidin-2-ylmethanone;hydrochloride
CID 119278834
[4-(3-fluorobenzoyl)piperazin-1-yl]-piperidin-2-ylmethanone;hydrochloride
CID 119282032
[(2S)-pyrrolidin-2-yl]-thiophen-2-ylmethanone
CID 42076584
[4-(3-methyl-1-benzothiophene-2-carbonyl)piperazin-1-yl]-piperidin-2-ylmethanone;hydrochloride
CID 119333601
(5-methyl-1,4-diazepan-1-yl)-thiophen-2-ylmethanone
CID 82242378
[4-(2-hydroxybenzoyl)piperazin-1-yl]-pyrrolidin-2-ylmethanone
CID 119294607
[4-(4-methoxybenzoyl)piperazin-1-yl]-piperidin-2-ylmethanone;hydrochloride
CID 119281944
[(2R)-pyrrolidin-2-yl]-[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 104900969
azepan-1-yl-[(2S)-piperidin-2-yl]methanone;hydrochloride
CID 119669545

Frequently Asked Questions

What is the IUPAC name of [(2S)-piperidin-2-yl]-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone;hydrochloride?
The IUPAC name of [(2S)-piperidin-2-yl]-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone;hydrochloride (CID 119689038) is [(2S)-piperidin-2-yl]-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone;hydrochloride.
What is the SMILES notation for [(2S)-piperidin-2-yl]-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone;hydrochloride?
The canonical SMILES for [(2S)-piperidin-2-yl]-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone;hydrochloride is Cl.O=C(c1cccs1)N1CCN(C(=O)[C@@H]2CCCCN2)CC1.
What is the InChIKey of [(2S)-piperidin-2-yl]-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone;hydrochloride?
The InChIKey is LQDAOOOOPRAIAL-YDALLXLXSA-N. The full InChI is InChI=1S/C15H21N3O2S.ClH/c19-14(12-4-1-2-6-16-12)17-7-9-18(10-8-17)15(20)13-5-3-11-21-13;/h3,5,11-12,16H,1-2,4,6-10H2;1H/t12-;/m0./s1.
What are the key properties of [(2S)-piperidin-2-yl]-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone;hydrochloride?
[(2S)-piperidin-2-yl]-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone;hydrochloride has a molecular weight of 343.88 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-piperidin-2-yl]-[4-(thiophene-2-carbonyl)piperazin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 119689038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).