(3S)-N-[2-(2-methoxyethylcarbamoyl)phenyl]-1-methylpiperidine-3-carboxamide

C17H25N3O3 — CID 99970188

IUPAC(3S)-N-[2-(2-methoxyethylcarbamoyl)phenyl]-1-methylpiperidine-3-carboxamide
SMILESCOCCNC(=O)c1ccccc1NC(=O)[C@H]1CCCN(C)C1
InChIInChI=1S/C17H25N3O3/c1-20-10-5-6-13(12-20)16(21)19-15-8-4-3-7-14(15)17(22)18-9-11-23-2/h3-4,7-8,13H,5-6,9-12H2,1-2H3,(H,18,22)(H,19,21)/t13-/m0/s1
InChIKeyGMCNGXZFMIAPPD-ZDUSSCGKSA-N
MW319.41 g/mol
LogP1.34
Rot. Bonds6

About (3S)-N-[2-(2-methoxyethylcarbamoyl)phenyl]-1-methylpiperidine-3-carboxamide

(3S)-N-[2-(2-methoxyethylcarbamoyl)phenyl]-1-methylpiperidine-3-carboxamide (PubChem CID 99970188) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is (3S)-N-[2-(2-methoxyethylcarbamoyl)phenyl]-1-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[2-(2-methoxyethylcarbamoyl)phenyl]-1-methylpiperidine-3-carboxamide
PubChem CID99970188
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC Name(3S)-N-[2-(2-methoxyethylcarbamoyl)phenyl]-1-methylpiperidine-3-carboxamide
SMILESCOCCNC(=O)c1ccccc1NC(=O)[C@H]1CCCN(C)C1
InChIInChI=1S/C17H25N3O3/c1-20-10-5-6-13(12-20)16(21)19-15-8-4-3-7-14(15)17(22)18-9-11-23-2/h3-4,7-8,13H,5-6,9-12H2,1-2H3,(H,18,22)(H,19,21)/t13-/m0/s1
InChIKeyGMCNGXZFMIAPPD-ZDUSSCGKSA-N
XLogP1.34
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 51.34
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

N-[2-(butylcarbamoyl)phenyl]-1-methylpiperidine-3-carboxamide
CID 132650711
N-[2-(2-methoxyethylcarbamoyl)phenyl]-1-methylsulfonylpiperidine-3-carboxamide
CID 132657722
1-ethylsulfonyl-N-[2-(2-methoxyethylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 132660688
1-methyl-N-[2-(2-methylpropylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 132650704
(3S)-1-ethylsulfonyl-N-[2-(3-methoxypropylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 125042744
(3S)-1-methyl-N-[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]piperidine-3-carboxamide
CID 125043020
(3R)-1-methyl-N-[2-[[(1R)-1-phenylethyl]carbamoyl]phenyl]piperidine-3-carboxamide
CID 99970141
N-[2-(2-methoxyethylcarbamoyl)phenyl]pyrrolidine-2-carboxamide
CID 18071622
1-acetyl-N-[2-(2-aminoethylcarbamoyl)phenyl]piperidine-3-carboxamide;hydrochloride
CID 120604476
N-(3-methoxypropyl)-2-[[2-(1-methylpiperidin-4-yl)acetyl]amino]benzamide
CID 99969806
3-N-[2-(2-aminoethylcarbamoyl)phenyl]-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide
CID 120603479
1-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-[2-(2-methoxyethylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 43932548

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[2-(2-methoxyethylcarbamoyl)phenyl]-1-methylpiperidine-3-carboxamide?
The IUPAC name of (3S)-N-[2-(2-methoxyethylcarbamoyl)phenyl]-1-methylpiperidine-3-carboxamide (CID 99970188) is (3S)-N-[2-(2-methoxyethylcarbamoyl)phenyl]-1-methylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[2-(2-methoxyethylcarbamoyl)phenyl]-1-methylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-N-[2-(2-methoxyethylcarbamoyl)phenyl]-1-methylpiperidine-3-carboxamide is COCCNC(=O)c1ccccc1NC(=O)[C@H]1CCCN(C)C1.
What is the InChIKey of (3S)-N-[2-(2-methoxyethylcarbamoyl)phenyl]-1-methylpiperidine-3-carboxamide?
The InChIKey is GMCNGXZFMIAPPD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-20-10-5-6-13(12-20)16(21)19-15-8-4-3-7-14(15)17(22)18-9-11-23-2/h3-4,7-8,13H,5-6,9-12H2,1-2H3,(H,18,22)(H,19,21)/t13-/m0/s1.
What are the key properties of (3S)-N-[2-(2-methoxyethylcarbamoyl)phenyl]-1-methylpiperidine-3-carboxamide?
(3S)-N-[2-(2-methoxyethylcarbamoyl)phenyl]-1-methylpiperidine-3-carboxamide has a molecular weight of 319.41 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[2-(2-methoxyethylcarbamoyl)phenyl]-1-methylpiperidine-3-carboxamide is sourced from PubChem (CID 99970188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).