N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride

C18H28ClN3O4 — CID 120621139

IUPACN-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
SMILESCOCC1(C(=O)Nc2cccc(OCC(=O)N(C)C)c2)CCNCC1.Cl
InChIInChI=1S/C18H27N3O4.ClH/c1-21(2)16(22)12-25-15-6-4-5-14(11-15)20-17(23)18(13-24-3)7-9-19-10-8-18;/h4-6,11,19H,7-10,12-13H2,1-3H3,(H,20,23);1H
InChIKeyROANKTXWLLCIJV-UHFFFAOYSA-N
MW385.89 g/mol
LogP1.53
Rot. Bonds7

About N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride

N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride (PubChem CID 120621139) has the molecular formula C18H28ClN3O4 and a molecular weight of 385.89 g/mol. Its IUPAC name is N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
PubChem CID120621139
Molecular FormulaC18H28ClN3O4
Molecular Weight385.89 g/mol
Exact Mass385.18
IUPAC NameN-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
SMILESCOCC1(C(=O)Nc2cccc(OCC(=O)N(C)C)c2)CCNCC1.Cl
InChIInChI=1S/C18H27N3O4.ClH/c1-21(2)16(22)12-25-15-6-4-5-14(11-15)20-17(23)18(13-24-3)7-9-19-10-8-18;/h4-6,11,19H,7-10,12-13H2,1-3H3,(H,20,23);1H
InChIKeyROANKTXWLLCIJV-UHFFFAOYSA-N
XLogP1.53
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.89
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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4-(methoxymethyl)-N-[3-(methylcarbamoylamino)phenyl]piperidine-4-carboxamide;hydrochloride
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N-(3-cyclopentyloxyphenyl)-4-(methoxymethyl)piperidine-4-carboxamide
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N-(3,5-dimethoxyphenyl)-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
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N-[3-(ethoxymethyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide
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N-[3-(diethylcarbamoyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide
CID 120617800
4-(methoxymethyl)-N-[4-[2-(methylamino)-2-oxoethoxy]phenyl]piperidine-4-carboxamide;hydrochloride
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N-[4-(dimethylcarbamoyl)phenyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120617739

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride (CID 120621139) is N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride is COCC1(C(=O)Nc2cccc(OCC(=O)N(C)C)c2)CCNCC1.Cl.
What is the InChIKey of N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride?
The InChIKey is ROANKTXWLLCIJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O4.ClH/c1-21(2)16(22)12-25-15-6-4-5-14(11-15)20-17(23)18(13-24-3)7-9-19-10-8-18;/h4-6,11,19H,7-10,12-13H2,1-3H3,(H,20,23);1H.
What are the key properties of N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride?
N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride has a molecular weight of 385.89 g/mol, XLogP of 1.53, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120621139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).