(2S,4S)-N-[3,5-dichloro-4-(2-methoxyethoxy)phenyl]-2-methylpiperidine-4-carboxamide

C16H22Cl2N2O3 — CID 120641196

IUPAC(2S,4S)-N-[3,5-dichloro-4-(2-methoxyethoxy)phenyl]-2-methylpiperidine-4-carboxamide
SMILESCOCCOc1c(Cl)cc(NC(=O)[C@H]2CCN[C@@H](C)C2)cc1Cl
InChIInChI=1S/C16H22Cl2N2O3/c1-10-7-11(3-4-19-10)16(21)20-12-8-13(17)15(14(18)9-12)23-6-5-22-2/h8-11,19H,3-7H2,1-2H3,(H,20,21)/t10-,11-/m0/s1
InChIKeyLPSBJSGAJXDARA-QWRGUYRKSA-N
MW361.27 g/mol
LogP3.35
Rot. Bonds6

About (2S,4S)-N-[3,5-dichloro-4-(2-methoxyethoxy)phenyl]-2-methylpiperidine-4-carboxamide

(2S,4S)-N-[3,5-dichloro-4-(2-methoxyethoxy)phenyl]-2-methylpiperidine-4-carboxamide (PubChem CID 120641196) has the molecular formula C16H22Cl2N2O3 and a molecular weight of 361.27 g/mol. Its IUPAC name is (2S,4S)-N-[3,5-dichloro-4-(2-methoxyethoxy)phenyl]-2-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name(2S,4S)-N-[3,5-dichloro-4-(2-methoxyethoxy)phenyl]-2-methylpiperidine-4-carboxamide
PubChem CID120641196
Molecular FormulaC16H22Cl2N2O3
Molecular Weight361.27 g/mol
Exact Mass360.10
IUPAC Name(2S,4S)-N-[3,5-dichloro-4-(2-methoxyethoxy)phenyl]-2-methylpiperidine-4-carboxamide
SMILESCOCCOc1c(Cl)cc(NC(=O)[C@H]2CCN[C@@H](C)C2)cc1Cl
InChIInChI=1S/C16H22Cl2N2O3/c1-10-7-11(3-4-19-10)16(21)20-12-8-13(17)15(14(18)9-12)23-6-5-22-2/h8-11,19H,3-7H2,1-2H3,(H,20,21)/t10-,11-/m0/s1
InChIKeyLPSBJSGAJXDARA-QWRGUYRKSA-N
XLogP3.35
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.27
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S,4S)-N-[3-chloro-4-(2-methoxyethoxy)phenyl]-2-methylpiperidine-4-carboxamide
CID 120624364
N-(3,4-dichlorophenyl)-2-methylpiperidine-4-carboxamide
CID 106738581
methyl N-[4-[(2-methylpiperidine-4-carbonyl)amino]phenyl]carbamate
CID 106739126
(2S,4S)-N-(3,5-difluorophenyl)-2-methylpiperidine-4-carboxamide
CID 120619158
(2S,4S)-2-methyl-N-[4-(methylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 120632144
methyl 4-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]benzoate
CID 120616157
(2S,4S)-N-[4-(cyclopropanecarbonylamino)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120619530
(2S,4S)-N-(4-chloro-3-fluorophenyl)-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120620459
(2S,4S)-N-[3-chloro-4-(pyridin-2-ylmethoxy)phenyl]-2-methylpiperidine-4-carboxamide
CID 120634640
(2S,4S)-N-[4-chloro-3-(phenylcarbamoyl)phenyl]-2-methylpiperidine-4-carboxamide
CID 120633632
(2S,4S)-N-[1-(2-methoxyethyl)indol-6-yl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120641099
(2S,4S)-2-methyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
CID 120616359

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-[3,5-dichloro-4-(2-methoxyethoxy)phenyl]-2-methylpiperidine-4-carboxamide?
The IUPAC name of (2S,4S)-N-[3,5-dichloro-4-(2-methoxyethoxy)phenyl]-2-methylpiperidine-4-carboxamide (CID 120641196) is (2S,4S)-N-[3,5-dichloro-4-(2-methoxyethoxy)phenyl]-2-methylpiperidine-4-carboxamide.
What is the SMILES notation for (2S,4S)-N-[3,5-dichloro-4-(2-methoxyethoxy)phenyl]-2-methylpiperidine-4-carboxamide?
The canonical SMILES for (2S,4S)-N-[3,5-dichloro-4-(2-methoxyethoxy)phenyl]-2-methylpiperidine-4-carboxamide is COCCOc1c(Cl)cc(NC(=O)[C@H]2CCN[C@@H](C)C2)cc1Cl.
What is the InChIKey of (2S,4S)-N-[3,5-dichloro-4-(2-methoxyethoxy)phenyl]-2-methylpiperidine-4-carboxamide?
The InChIKey is LPSBJSGAJXDARA-QWRGUYRKSA-N. The full InChI is InChI=1S/C16H22Cl2N2O3/c1-10-7-11(3-4-19-10)16(21)20-12-8-13(17)15(14(18)9-12)23-6-5-22-2/h8-11,19H,3-7H2,1-2H3,(H,20,21)/t10-,11-/m0/s1.
What are the key properties of (2S,4S)-N-[3,5-dichloro-4-(2-methoxyethoxy)phenyl]-2-methylpiperidine-4-carboxamide?
(2S,4S)-N-[3,5-dichloro-4-(2-methoxyethoxy)phenyl]-2-methylpiperidine-4-carboxamide has a molecular weight of 361.27 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-[3,5-dichloro-4-(2-methoxyethoxy)phenyl]-2-methylpiperidine-4-carboxamide is sourced from PubChem (CID 120641196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).