[4-(3-methylpiperidine-3-carbonyl)piperazin-1-yl]-thiophen-3-ylmethanone;hydrochloride

C16H24ClN3O2S — CID 119944853

IUPAC[4-(3-methylpiperidine-3-carbonyl)piperazin-1-yl]-thiophen-3-ylmethanone;hydrochloride
SMILESCC1(C(=O)N2CCN(C(=O)c3ccsc3)CC2)CCCNC1.Cl
InChIInChI=1S/C16H23N3O2S.ClH/c1-16(4-2-5-17-12-16)15(21)19-8-6-18(7-9-19)14(20)13-3-10-22-11-13;/h3,10-11,17H,2,4-9,12H2,1H3;1H
InChIKeyWCIUITPFBATGEV-UHFFFAOYSA-N
MW357.91 g/mol
LogP1.84
Rot. Bonds2

About [4-(3-methylpiperidine-3-carbonyl)piperazin-1-yl]-thiophen-3-ylmethanone;hydrochloride

[4-(3-methylpiperidine-3-carbonyl)piperazin-1-yl]-thiophen-3-ylmethanone;hydrochloride (PubChem CID 119944853) has the molecular formula C16H24ClN3O2S and a molecular weight of 357.91 g/mol. Its IUPAC name is [4-(3-methylpiperidine-3-carbonyl)piperazin-1-yl]-thiophen-3-ylmethanone;hydrochloride.

Molecular Properties

Compound Name[4-(3-methylpiperidine-3-carbonyl)piperazin-1-yl]-thiophen-3-ylmethanone;hydrochloride
PubChem CID119944853
Molecular FormulaC16H24ClN3O2S
Molecular Weight357.91 g/mol
Exact Mass357.13
IUPAC Name[4-(3-methylpiperidine-3-carbonyl)piperazin-1-yl]-thiophen-3-ylmethanone;hydrochloride
SMILESCC1(C(=O)N2CCN(C(=O)c3ccsc3)CC2)CCCNC1.Cl
InChIInChI=1S/C16H23N3O2S.ClH/c1-16(4-2-5-17-12-16)15(21)19-8-6-18(7-9-19)14(20)13-3-10-22-11-13;/h3,10-11,17H,2,4-9,12H2,1H3;1H
InChIKeyWCIUITPFBATGEV-UHFFFAOYSA-N
XLogP1.84
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.91
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,8-diazaspiro[5.5]undecan-2-yl(thiophen-3-yl)methanone
CID 102849694
[4-(1-aminocyclopentanecarbonyl)-1,4-diazepan-1-yl]-thiophen-3-ylmethanone;hydrochloride
CID 119297822
[4-[4-(methoxymethyl)piperidine-4-carbonyl]-1,4-diazepan-1-yl]-thiophen-3-ylmethanone;hydrochloride
CID 120624280
[4-(3-methylpyrrolidine-3-carbonyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 63141844
3-methyl-N-thiophen-3-ylpiperidine-3-carboxamide
CID 66352634
[4-(2-fluorophenyl)piperazin-1-yl]-(3-methylpiperidin-3-yl)methanone;dihydrochloride
CID 119946055
1-(3-methylpiperidin-3-yl)-2-thiophen-3-ylethanone
CID 116569506
[4-(2-methylphenyl)piperazin-1-yl]-(3-methylpiperidin-3-yl)methanone
CID 119946184
3-piperidin-3-yl-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]butan-1-one;hydrochloride
CID 119740795
(3-hydroxy-3-methylpiperidin-1-yl)-thiophen-3-ylmethanone
CID 115874944
(4-fluorophenyl)-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone
CID 36507181
[4-(2-fluorophenyl)piperazin-1-yl]-(3-methylpiperidin-3-yl)methanone
CID 119946056

Frequently Asked Questions

What is the IUPAC name of [4-(3-methylpiperidine-3-carbonyl)piperazin-1-yl]-thiophen-3-ylmethanone;hydrochloride?
The IUPAC name of [4-(3-methylpiperidine-3-carbonyl)piperazin-1-yl]-thiophen-3-ylmethanone;hydrochloride (CID 119944853) is [4-(3-methylpiperidine-3-carbonyl)piperazin-1-yl]-thiophen-3-ylmethanone;hydrochloride.
What is the SMILES notation for [4-(3-methylpiperidine-3-carbonyl)piperazin-1-yl]-thiophen-3-ylmethanone;hydrochloride?
The canonical SMILES for [4-(3-methylpiperidine-3-carbonyl)piperazin-1-yl]-thiophen-3-ylmethanone;hydrochloride is CC1(C(=O)N2CCN(C(=O)c3ccsc3)CC2)CCCNC1.Cl.
What is the InChIKey of [4-(3-methylpiperidine-3-carbonyl)piperazin-1-yl]-thiophen-3-ylmethanone;hydrochloride?
The InChIKey is WCIUITPFBATGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2S.ClH/c1-16(4-2-5-17-12-16)15(21)19-8-6-18(7-9-19)14(20)13-3-10-22-11-13;/h3,10-11,17H,2,4-9,12H2,1H3;1H.
What are the key properties of [4-(3-methylpiperidine-3-carbonyl)piperazin-1-yl]-thiophen-3-ylmethanone;hydrochloride?
[4-(3-methylpiperidine-3-carbonyl)piperazin-1-yl]-thiophen-3-ylmethanone;hydrochloride has a molecular weight of 357.91 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methylpiperidine-3-carbonyl)piperazin-1-yl]-thiophen-3-ylmethanone;hydrochloride is sourced from PubChem (CID 119944853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).