N-[2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride

C18H25ClN2O3S — CID 120633447

IUPACN-[2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
SMILESCOCC1(C(=O)NCC(O)c2cc3ccccc3s2)CCNCC1.Cl
InChIInChI=1S/C18H24N2O3S.ClH/c1-23-12-18(6-8-19-9-7-18)17(22)20-11-14(21)16-10-13-4-2-3-5-15(13)24-16;/h2-5,10,14,19,21H,6-9,11-12H2,1H3,(H,20,22);1H
InChIKeyKPQDQKPEVJLULN-UHFFFAOYSA-N
MW384.93 g/mol
LogP2.49
Rot. Bonds6

About N-[2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride

N-[2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride (PubChem CID 120633447) has the molecular formula C18H25ClN2O3S and a molecular weight of 384.93 g/mol. Its IUPAC name is N-[2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
PubChem CID120633447
Molecular FormulaC18H25ClN2O3S
Molecular Weight384.93 g/mol
Exact Mass384.13
IUPAC NameN-[2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
SMILESCOCC1(C(=O)NCC(O)c2cc3ccccc3s2)CCNCC1.Cl
InChIInChI=1S/C18H24N2O3S.ClH/c1-23-12-18(6-8-19-9-7-18)17(22)20-11-14(21)16-10-13-4-2-3-5-15(13)24-16;/h2-5,10,14,19,21H,6-9,11-12H2,1H3,(H,20,22);1H
InChIKeyKPQDQKPEVJLULN-UHFFFAOYSA-N
XLogP2.49
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.93
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-4-methoxypiperidine-4-carboxamide
CID 119788171
N-[2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-2-methylpiperidine-2-carboxamide;hydrochloride
CID 110027339
N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120635556
N-benzyl-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120616012
4-(methoxymethyl)-N-(2-methyl-3-phenylmethoxypropyl)piperidine-4-carboxamide;hydrochloride
CID 120625793
4-(methoxymethyl)-N-[2-(3-methoxyphenoxy)propyl]piperidine-4-carboxamide;hydrochloride
CID 120636224
4-(methoxymethyl)-N-[2-(4-methoxyphenoxy)propyl]piperidine-4-carboxamide
CID 120622626
N-(3-amino-2-hydroxy-3-oxopropyl)-4-(methoxymethyl)piperidine-4-carboxamide
CID 114154115
4-(methoxymethyl)-N-[2-(2-methoxyphenoxy)propyl]piperidine-4-carboxamide
CID 120636259
N-[2-(diethylamino)-3-phenylpropyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120642373
4-(methoxymethyl)-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide;dihydrochloride
CID 120615837
4-(methoxymethyl)-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]piperidine-4-carboxamide;hydrochloride
CID 120630106

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride (CID 120633447) is N-[2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride is COCC1(C(=O)NCC(O)c2cc3ccccc3s2)CCNCC1.Cl.
What is the InChIKey of N-[2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride?
The InChIKey is KPQDQKPEVJLULN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3S.ClH/c1-23-12-18(6-8-19-9-7-18)17(22)20-11-14(21)16-10-13-4-2-3-5-15(13)24-16;/h2-5,10,14,19,21H,6-9,11-12H2,1H3,(H,20,22);1H.
What are the key properties of N-[2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride?
N-[2-(1-benzothiophen-2-yl)-2-hydroxyethyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride has a molecular weight of 384.93 g/mol, XLogP of 2.49, 6 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-(methoxymethyl)piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120633447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).