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

C16H25ClN4O2 — CID 120626462

IUPAC(2S,4S)-N-[3-(ethylcarbamoylamino)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
SMILESCCNC(=O)Nc1cccc(NC(=O)[C@H]2CCN[C@@H](C)C2)c1.Cl
InChIInChI=1S/C16H24N4O2.ClH/c1-3-17-16(22)20-14-6-4-5-13(10-14)19-15(21)12-7-8-18-11(2)9-12;/h4-6,10-12,18H,3,7-9H2,1-2H3,(H,19,21)(H2,17,20,22);1H/t11-,12-;/m0./s1
InChIKeySEYGADDRKCSRMW-FXMYHANSSA-N
MW340.86 g/mol
LogP2.58
Rot. Bonds4

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

(2S,4S)-N-[3-(ethylcarbamoylamino)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride (PubChem CID 120626462) has the molecular formula C16H25ClN4O2 and a molecular weight of 340.86 g/mol. Its IUPAC name is (2S,4S)-N-[3-(ethylcarbamoylamino)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S,4S)-N-[3-(ethylcarbamoylamino)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
PubChem CID120626462
Molecular FormulaC16H25ClN4O2
Molecular Weight340.86 g/mol
Exact Mass340.17
IUPAC Name(2S,4S)-N-[3-(ethylcarbamoylamino)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
SMILESCCNC(=O)Nc1cccc(NC(=O)[C@H]2CCN[C@@H](C)C2)c1.Cl
InChIInChI=1S/C16H24N4O2.ClH/c1-3-17-16(22)20-14-6-4-5-13(10-14)19-15(21)12-7-8-18-11(2)9-12;/h4-6,10-12,18H,3,7-9H2,1-2H3,(H,19,21)(H2,17,20,22);1H/t11-,12-;/m0./s1
InChIKeySEYGADDRKCSRMW-FXMYHANSSA-N
XLogP2.58
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.86
LogP ≤ 52.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4S)-N-(3-acetamidophenyl)-2-methylpiperidine-4-carboxamide
CID 120616198
(2S,4S)-N-(3-iodophenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120616575
(2S,4S)-N-(3-benzamidophenyl)-2-methylpiperidine-4-carboxamide
CID 120620603
2-methyl-N-(3-propan-2-ylphenyl)piperidine-4-carboxamide
CID 106738709
(2S,4S)-N-[4-(cyclopropanecarbonylamino)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120619530
(2S,4S)-N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120621065
(2S,4S)-2-methyl-N-[3-(thiophene-2-carbonylamino)phenyl]piperidine-4-carboxamide
CID 120619627
(2S,4S)-N-[3-[2-(diethylamino)-2-oxoethoxy]phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120621119
(2S,4S)-N-[3-(difluoromethoxy)phenyl]-2-methylpiperidine-4-carboxamide
CID 120620400
(2S,4S)-N-[3-(cyclopropylcarbamoyl)phenyl]-2-methylpiperidine-4-carboxamide
CID 120631994
(2S,4S)-N-(3,4-difluorophenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120616444
(2S,4S)-2-methyl-N-[3-(piperidine-1-carbonyl)phenyl]piperidine-4-carboxamide;hydrochloride
CID 120624437

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-[3-(ethylcarbamoylamino)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of (2S,4S)-N-[3-(ethylcarbamoylamino)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride (CID 120626462) is (2S,4S)-N-[3-(ethylcarbamoylamino)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for (2S,4S)-N-[3-(ethylcarbamoylamino)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for (2S,4S)-N-[3-(ethylcarbamoylamino)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride is CCNC(=O)Nc1cccc(NC(=O)[C@H]2CCN[C@@H](C)C2)c1.Cl.
What is the InChIKey of (2S,4S)-N-[3-(ethylcarbamoylamino)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is SEYGADDRKCSRMW-FXMYHANSSA-N. The full InChI is InChI=1S/C16H24N4O2.ClH/c1-3-17-16(22)20-14-6-4-5-13(10-14)19-15(21)12-7-8-18-11(2)9-12;/h4-6,10-12,18H,3,7-9H2,1-2H3,(H,19,21)(H2,17,20,22);1H/t11-,12-;/m0./s1.
What are the key properties of (2S,4S)-N-[3-(ethylcarbamoylamino)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride?
(2S,4S)-N-[3-(ethylcarbamoylamino)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 340.86 g/mol, XLogP of 2.58, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-[3-(ethylcarbamoylamino)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120626462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).