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

C17H26ClN3O3 — CID 120621065

IUPAC(2S,4S)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
SMILESCCNC(=O)COc1ccc(NC(=O)[C@H]2CCN[C@@H](C)C2)cc1.Cl
InChIInChI=1S/C17H25N3O3.ClH/c1-3-18-16(21)11-23-15-6-4-14(5-7-15)20-17(22)13-8-9-19-12(2)10-13;/h4-7,12-13,19H,3,8-11H2,1-2H3,(H,18,21)(H,20,22);1H/t12-,13-;/m0./s1
InChIKeyJEQPIUPWEVSVGQ-QNTKWALQSA-N
MW355.87 g/mol
LogP1.95
Rot. Bonds6

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

(2S,4S)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride (PubChem CID 120621065) has the molecular formula C17H26ClN3O3 and a molecular weight of 355.87 g/mol. Its IUPAC name is (2S,4S)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,4S)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
PubChem CID120621065
Molecular FormulaC17H26ClN3O3
Molecular Weight355.87 g/mol
Exact Mass355.17
IUPAC Name(2S,4S)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
SMILESCCNC(=O)COc1ccc(NC(=O)[C@H]2CCN[C@@H](C)C2)cc1.Cl
InChIInChI=1S/C17H25N3O3.ClH/c1-3-18-16(21)11-23-15-6-4-14(5-7-15)20-17(22)13-8-9-19-12(2)10-13;/h4-7,12-13,19H,3,8-11H2,1-2H3,(H,18,21)(H,20,22);1H/t12-,13-;/m0./s1
InChIKeyJEQPIUPWEVSVGQ-QNTKWALQSA-N
XLogP1.95
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.87
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4S)-2-methyl-N-[4-[2-(methylamino)-2-oxoethoxy]phenyl]piperidine-4-carboxamide
CID 120631270
(2S,4S)-N-(4-butan-2-yloxyphenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120624355
(2S,4S)-2-methyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]piperidine-4-carboxamide;hydrochloride
CID 120619364
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]piperidine-3-carboxamide
CID 119283903
(2S,4S)-N-[4-(cyclopropanecarbonylamino)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120619530
(2S,4S)-N-[4-(difluoromethoxy)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120616787
(2S,4S)-N-[3-(ethylcarbamoylamino)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120626462
methyl N-[4-[(2-methylpiperidine-4-carbonyl)amino]phenyl]carbamate
CID 106739126
N-(4-cyanophenyl)-2-methylpiperidine-4-carboxamide
CID 106738623
(2S,4S)-N-[3-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120621119
(2S,4S)-N-[4-(4-methoxyphenyl)sulfanylphenyl]-2-methylpiperidine-4-carboxamide
CID 120630872
methyl 4-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]benzoate
CID 120616157

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of (2S,4S)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride (CID 120621065) is (2S,4S)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for (2S,4S)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for (2S,4S)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride is CCNC(=O)COc1ccc(NC(=O)[C@H]2CCN[C@@H](C)C2)cc1.Cl.
What is the InChIKey of (2S,4S)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is JEQPIUPWEVSVGQ-QNTKWALQSA-N. The full InChI is InChI=1S/C17H25N3O3.ClH/c1-3-18-16(21)11-23-15-6-4-14(5-7-15)20-17(22)13-8-9-19-12(2)10-13;/h4-7,12-13,19H,3,8-11H2,1-2H3,(H,18,21)(H,20,22);1H/t12-,13-;/m0./s1.
What are the key properties of (2S,4S)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
(2S,4S)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 355.87 g/mol, XLogP of 1.95, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120621065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).