(2S,4S)-N-[3-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride

C19H30ClN3O3 — CID 120621119

IUPAC(2S,4S)-N-[3-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
SMILESCCN(CC)C(=O)COc1cccc(NC(=O)[C@H]2CCN[C@@H](C)C2)c1.Cl
InChIInChI=1S/C19H29N3O3.ClH/c1-4-22(5-2)18(23)13-25-17-8-6-7-16(12-17)21-19(24)15-9-10-20-14(3)11-15;/h6-8,12,14-15,20H,4-5,9-11,13H2,1-3H3,(H,21,24);1H/t14-,15-;/m0./s1
InChIKeyUTWHJVUQSYQECA-YYLIZZNMSA-N
MW383.92 g/mol
LogP2.68
Rot. Bonds7

About (2S,4S)-N-[3-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride

(2S,4S)-N-[3-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride (PubChem CID 120621119) has the molecular formula C19H30ClN3O3 and a molecular weight of 383.92 g/mol. Its IUPAC name is (2S,4S)-N-[3-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,4S)-N-[3-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
PubChem CID120621119
Molecular FormulaC19H30ClN3O3
Molecular Weight383.92 g/mol
Exact Mass383.20
IUPAC Name(2S,4S)-N-[3-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
SMILESCCN(CC)C(=O)COc1cccc(NC(=O)[C@H]2CCN[C@@H](C)C2)c1.Cl
InChIInChI=1S/C19H29N3O3.ClH/c1-4-22(5-2)18(23)13-25-17-8-6-7-16(12-17)21-19(24)15-9-10-20-14(3)11-15;/h6-8,12,14-15,20H,4-5,9-11,13H2,1-3H3,(H,21,24);1H/t14-,15-;/m0./s1
InChIKeyUTWHJVUQSYQECA-YYLIZZNMSA-N
XLogP2.68
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.92
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3S)-N-[3-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-methylmorpholine-3-carboxamide
CID 120922885
2-(3-acetamidophenoxy)-N,N-diethylacetamide
CID 7698145
(2S,4S)-N-[3-(difluoromethoxy)phenyl]-2-methylpiperidine-4-carboxamide
CID 120620400
(2S,4S)-N-[3-(ethylcarbamoylamino)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120626462
(2S,4S)-N-(3-acetamidophenyl)-2-methylpiperidine-4-carboxamide
CID 120616198
(2S,4S)-N-(3-iodophenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120616575
N-[3-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119936409
(2S,4S)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120621065
(2S,4S)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-2-methylpiperidine-4-carboxamide
CID 120636307
N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]piperidine-2-carboxamide;hydrochloride
CID 119284224
4-[[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120672572
(2S,4S)-2-methyl-N-[4-[2-(methylamino)-2-oxoethoxy]phenyl]piperidine-4-carboxamide
CID 120631270

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-[3-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of (2S,4S)-N-[3-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride (CID 120621119) is (2S,4S)-N-[3-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for (2S,4S)-N-[3-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for (2S,4S)-N-[3-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride is CCN(CC)C(=O)COc1cccc(NC(=O)[C@H]2CCN[C@@H](C)C2)c1.Cl.
What is the InChIKey of (2S,4S)-N-[3-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is UTWHJVUQSYQECA-YYLIZZNMSA-N. The full InChI is InChI=1S/C19H29N3O3.ClH/c1-4-22(5-2)18(23)13-25-17-8-6-7-16(12-17)21-19(24)15-9-10-20-14(3)11-15;/h6-8,12,14-15,20H,4-5,9-11,13H2,1-3H3,(H,21,24);1H/t14-,15-;/m0./s1.
What are the key properties of (2S,4S)-N-[3-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
(2S,4S)-N-[3-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 383.92 g/mol, XLogP of 2.68, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-[3-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120621119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).