N-[2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-4-methoxypiperidine-4-carboxamide

C17H22N2O3S — CID 119788171

IUPACN-[2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-4-methoxypiperidine-4-carboxamide
SMILESCOC1(C(=O)NCC(O)c2cc3ccccc3s2)CCNCC1
InChIInChI=1S/C17H22N2O3S/c1-22-17(6-8-18-9-7-17)16(21)19-11-13(20)15-10-12-4-2-3-5-14(12)23-15/h2-5,10,13,18,20H,6-9,11H2,1H3,(H,19,21)
InChIKeyBYHVYXZDLVNEIH-UHFFFAOYSA-N
MW334.44 g/mol
LogP1.82
Rot. Bonds5

About N-[2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-4-methoxypiperidine-4-carboxamide

N-[2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-4-methoxypiperidine-4-carboxamide (PubChem CID 119788171) has the molecular formula C17H22N2O3S and a molecular weight of 334.44 g/mol. Its IUPAC name is N-[2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-4-methoxypiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-4-methoxypiperidine-4-carboxamide
PubChem CID119788171
Molecular FormulaC17H22N2O3S
Molecular Weight334.44 g/mol
Exact Mass334.14
IUPAC NameN-[2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-4-methoxypiperidine-4-carboxamide
SMILESCOC1(C(=O)NCC(O)c2cc3ccccc3s2)CCNCC1
InChIInChI=1S/C17H22N2O3S/c1-22-17(6-8-18-9-7-17)16(21)19-11-13(20)15-10-12-4-2-3-5-14(12)23-15/h2-5,10,13,18,20H,6-9,11H2,1H3,(H,19,21)
InChIKeyBYHVYXZDLVNEIH-UHFFFAOYSA-N
XLogP1.82
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-4-methoxypiperidine-4-carboxamide?
The IUPAC name of N-[2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-4-methoxypiperidine-4-carboxamide (CID 119788171) is N-[2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-4-methoxypiperidine-4-carboxamide.
What is the SMILES notation for N-[2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-4-methoxypiperidine-4-carboxamide?
The canonical SMILES for N-[2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-4-methoxypiperidine-4-carboxamide is COC1(C(=O)NCC(O)c2cc3ccccc3s2)CCNCC1.
What is the InChIKey of N-[2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-4-methoxypiperidine-4-carboxamide?
The InChIKey is BYHVYXZDLVNEIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3S/c1-22-17(6-8-18-9-7-17)16(21)19-11-13(20)15-10-12-4-2-3-5-14(12)23-15/h2-5,10,13,18,20H,6-9,11H2,1H3,(H,19,21).
What are the key properties of N-[2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-4-methoxypiperidine-4-carboxamide?
N-[2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-4-methoxypiperidine-4-carboxamide has a molecular weight of 334.44 g/mol, XLogP of 1.82, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-4-methoxypiperidine-4-carboxamide is sourced from PubChem (CID 119788171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).