N-[2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-2-methylpiperidine-2-carboxamide;hydrochloride

C17H23ClN2O2S — CID 110027339

IUPACN-[2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-2-methylpiperidine-2-carboxamide;hydrochloride
SMILESCC1(C(=O)NCC(O)c2cc3ccccc3s2)CCCCN1.Cl
InChIInChI=1S/C17H22N2O2S.ClH/c1-17(8-4-5-9-19-17)16(21)18-11-13(20)15-10-12-6-2-3-7-14(12)22-15;/h2-3,6-7,10,13,19-20H,4-5,8-9,11H2,1H3,(H,18,21);1H
InChIKeyFZYGRQJXYIHLCS-UHFFFAOYSA-N
MW354.90 g/mol
LogP3.00
Rot. Bonds4

About N-[2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-2-methylpiperidine-2-carboxamide;hydrochloride

N-[2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-2-methylpiperidine-2-carboxamide;hydrochloride (PubChem CID 110027339) has the molecular formula C17H23ClN2O2S and a molecular weight of 354.90 g/mol. Its IUPAC name is N-[2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-2-methylpiperidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-2-methylpiperidine-2-carboxamide;hydrochloride
PubChem CID110027339
Molecular FormulaC17H23ClN2O2S
Molecular Weight354.90 g/mol
Exact Mass354.12
IUPAC NameN-[2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-2-methylpiperidine-2-carboxamide;hydrochloride
SMILESCC1(C(=O)NCC(O)c2cc3ccccc3s2)CCCCN1.Cl
InChIInChI=1S/C17H22N2O2S.ClH/c1-17(8-4-5-9-19-17)16(21)18-11-13(20)15-10-12-6-2-3-7-14(12)22-15;/h2-3,6-7,10,13,19-20H,4-5,8-9,11H2,1H3,(H,18,21);1H
InChIKeyFZYGRQJXYIHLCS-UHFFFAOYSA-N
XLogP3.00
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.90
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-2-methylpiperidine-2-carboxamide;hydrochloride?
The IUPAC name of N-[2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-2-methylpiperidine-2-carboxamide;hydrochloride (CID 110027339) is N-[2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-2-methylpiperidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-2-methylpiperidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-2-methylpiperidine-2-carboxamide;hydrochloride is CC1(C(=O)NCC(O)c2cc3ccccc3s2)CCCCN1.Cl.
What is the InChIKey of N-[2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-2-methylpiperidine-2-carboxamide;hydrochloride?
The InChIKey is FZYGRQJXYIHLCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2S.ClH/c1-17(8-4-5-9-19-17)16(21)18-11-13(20)15-10-12-6-2-3-7-14(12)22-15;/h2-3,6-7,10,13,19-20H,4-5,8-9,11H2,1H3,(H,18,21);1H.
What are the key properties of N-[2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-2-methylpiperidine-2-carboxamide;hydrochloride?
N-[2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-2-methylpiperidine-2-carboxamide;hydrochloride has a molecular weight of 354.90 g/mol, XLogP of 3.00, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-2-methylpiperidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 110027339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).