piperidin-1-yl-[5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]thiophen-3-yl]methanone;hydrochloride

C24H34ClN3O2S — CID 19011656

IUPACpiperidin-1-yl-[5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]thiophen-3-yl]methanone;hydrochloride
SMILESCC(C)Oc1ccccc1N1CCN(Cc2cc(C(=O)N3CCCCC3)cs2)CC1.Cl
InChIInChI=1S/C24H33N3O2S.ClH/c1-19(2)29-23-9-5-4-8-22(23)26-14-12-25(13-15-26)17-21-16-20(18-30-21)24(28)27-10-6-3-7-11-27;/h4-5,8-9,16,18-19H,3,6-7,10-15,17H2,1-2H3;1H
InChIKeyOIEFIANSJNOBPN-UHFFFAOYSA-N
MW464.08 g/mol
LogP4.91
Rot. Bonds6

About piperidin-1-yl-[5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]thiophen-3-yl]methanone;hydrochloride

piperidin-1-yl-[5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]thiophen-3-yl]methanone;hydrochloride (PubChem CID 19011656) has the molecular formula C24H34ClN3O2S and a molecular weight of 464.08 g/mol. Its IUPAC name is piperidin-1-yl-[5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]thiophen-3-yl]methanone;hydrochloride.

Molecular Properties

Compound Namepiperidin-1-yl-[5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]thiophen-3-yl]methanone;hydrochloride
PubChem CID19011656
Molecular FormulaC24H34ClN3O2S
Molecular Weight464.08 g/mol
Exact Mass463.21
IUPAC Namepiperidin-1-yl-[5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]thiophen-3-yl]methanone;hydrochloride
SMILESCC(C)Oc1ccccc1N1CCN(Cc2cc(C(=O)N3CCCCC3)cs2)CC1.Cl
InChIInChI=1S/C24H33N3O2S.ClH/c1-19(2)29-23-9-5-4-8-22(23)26-14-12-25(13-15-26)17-21-16-20(18-30-21)24(28)27-10-6-3-7-11-27;/h4-5,8-9,16,18-19H,3,6-7,10-15,17H2,1-2H3;1H
InChIKeyOIEFIANSJNOBPN-UHFFFAOYSA-N
XLogP4.91
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.08
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl-[5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]thiophen-3-yl]methanone;hydrochloride?
The IUPAC name of piperidin-1-yl-[5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]thiophen-3-yl]methanone;hydrochloride (CID 19011656) is piperidin-1-yl-[5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]thiophen-3-yl]methanone;hydrochloride.
What is the SMILES notation for piperidin-1-yl-[5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]thiophen-3-yl]methanone;hydrochloride?
The canonical SMILES for piperidin-1-yl-[5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]thiophen-3-yl]methanone;hydrochloride is CC(C)Oc1ccccc1N1CCN(Cc2cc(C(=O)N3CCCCC3)cs2)CC1.Cl.
What is the InChIKey of piperidin-1-yl-[5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]thiophen-3-yl]methanone;hydrochloride?
The InChIKey is OIEFIANSJNOBPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O2S.ClH/c1-19(2)29-23-9-5-4-8-22(23)26-14-12-25(13-15-26)17-21-16-20(18-30-21)24(28)27-10-6-3-7-11-27;/h4-5,8-9,16,18-19H,3,6-7,10-15,17H2,1-2H3;1H.
What are the key properties of piperidin-1-yl-[5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]thiophen-3-yl]methanone;hydrochloride?
piperidin-1-yl-[5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]thiophen-3-yl]methanone;hydrochloride has a molecular weight of 464.08 g/mol, XLogP of 4.91, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl-[5-[[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]methyl]thiophen-3-yl]methanone;hydrochloride is sourced from PubChem (CID 19011656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).