4-benzyl-N-[[(3R)-1-(2-methoxyethyl)piperidin-3-yl]methyl]piperidine-1-carboxamide

C22H35N3O2 — CID 126433119

IUPAC4-benzyl-N-[[(3R)-1-(2-methoxyethyl)piperidin-3-yl]methyl]piperidine-1-carboxamide
SMILESCOCCN1CCC[C@H](CNC(=O)N2CCC(Cc3ccccc3)CC2)C1
InChIInChI=1S/C22H35N3O2/c1-27-15-14-24-11-5-8-21(18-24)17-23-22(26)25-12-9-20(10-13-25)16-19-6-3-2-4-7-19/h2-4,6-7,20-21H,5,8-18H2,1H3,(H,23,26)/t21-/m1/s1
InChIKeyFPVGNYBYJQNQFM-OAQYLSRUSA-N
MW373.54 g/mol
LogP3.01
Rot. Bonds7

About 4-benzyl-N-[[(3R)-1-(2-methoxyethyl)piperidin-3-yl]methyl]piperidine-1-carboxamide

4-benzyl-N-[[(3R)-1-(2-methoxyethyl)piperidin-3-yl]methyl]piperidine-1-carboxamide (PubChem CID 126433119) has the molecular formula C22H35N3O2 and a molecular weight of 373.54 g/mol. Its IUPAC name is 4-benzyl-N-[[(3R)-1-(2-methoxyethyl)piperidin-3-yl]methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-benzyl-N-[[(3R)-1-(2-methoxyethyl)piperidin-3-yl]methyl]piperidine-1-carboxamide
PubChem CID126433119
Molecular FormulaC22H35N3O2
Molecular Weight373.54 g/mol
Exact Mass373.27
IUPAC Name4-benzyl-N-[[(3R)-1-(2-methoxyethyl)piperidin-3-yl]methyl]piperidine-1-carboxamide
SMILESCOCCN1CCC[C@H](CNC(=O)N2CCC(Cc3ccccc3)CC2)C1
InChIInChI=1S/C22H35N3O2/c1-27-15-14-24-11-5-8-21(18-24)17-23-22(26)25-12-9-20(10-13-25)16-19-6-3-2-4-7-19/h2-4,6-7,20-21H,5,8-18H2,1H3,(H,23,26)/t21-/m1/s1
InChIKeyFPVGNYBYJQNQFM-OAQYLSRUSA-N
XLogP3.01
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.54
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-benzyl-N-[[(3R)-1-(2-methoxyethyl)piperidin-3-yl]methyl]piperidine-1-carboxamide with MolForge

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Related Compounds

N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-4-(2-phenylethyl)piperidine-1-carboxamide
CID 126449856
4-ethyl-N-[[(3R)-1-(2-phenylethyl)piperidin-3-yl]methyl]piperazine-1-carboxamide
CID 126426505
N-[[(3R)-1-(2-phenylethyl)piperidin-3-yl]methyl]thiomorpholine-4-carboxamide
CID 126453520
2-acetyl-N-[[(3R)-1-(2-methoxyethyl)piperidin-3-yl]methyl]benzamide
CID 124758814
N-[[(3R)-1-(2-phenylethyl)piperidin-3-yl]methyl]-4-(1,2,4-triazol-4-yl)piperidine-1-carboxamide
CID 126427116
N-[(1-benzylpiperidin-3-yl)methyl]-3-methylpiperidine-1-carboxamide
CID 60597786
(2R)-2-benzyl-N-[[(3R)-1-ethylpiperidin-3-yl]methyl]morpholine-4-carboxamide
CID 97337261
1-(4-chloronaphthalen-1-yl)-3-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]urea
CID 72913939
N-[[(3S)-1-(2-methoxyethyl)pyrrolidin-3-yl]methyl]-2-(methoxymethyl)benzamide
CID 95238690
N-[[(3R)-1-benzylpiperidin-3-yl]methyl]-4-(2-methoxyethoxy)butanamide
CID 95186738
1-[(1-benzylazetidin-2-yl)methyl]-3-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]urea
CID 166243003
4-(1-hydroxy-3-phenylpropyl)-N-[(1-methylpiperidin-4-yl)methyl]piperidine-1-carboxamide
CID 121499174

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-[[(3R)-1-(2-methoxyethyl)piperidin-3-yl]methyl]piperidine-1-carboxamide?
The IUPAC name of 4-benzyl-N-[[(3R)-1-(2-methoxyethyl)piperidin-3-yl]methyl]piperidine-1-carboxamide (CID 126433119) is 4-benzyl-N-[[(3R)-1-(2-methoxyethyl)piperidin-3-yl]methyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-benzyl-N-[[(3R)-1-(2-methoxyethyl)piperidin-3-yl]methyl]piperidine-1-carboxamide?
The canonical SMILES for 4-benzyl-N-[[(3R)-1-(2-methoxyethyl)piperidin-3-yl]methyl]piperidine-1-carboxamide is COCCN1CCC[C@H](CNC(=O)N2CCC(Cc3ccccc3)CC2)C1.
What is the InChIKey of 4-benzyl-N-[[(3R)-1-(2-methoxyethyl)piperidin-3-yl]methyl]piperidine-1-carboxamide?
The InChIKey is FPVGNYBYJQNQFM-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H35N3O2/c1-27-15-14-24-11-5-8-21(18-24)17-23-22(26)25-12-9-20(10-13-25)16-19-6-3-2-4-7-19/h2-4,6-7,20-21H,5,8-18H2,1H3,(H,23,26)/t21-/m1/s1.
What are the key properties of 4-benzyl-N-[[(3R)-1-(2-methoxyethyl)piperidin-3-yl]methyl]piperidine-1-carboxamide?
4-benzyl-N-[[(3R)-1-(2-methoxyethyl)piperidin-3-yl]methyl]piperidine-1-carboxamide has a molecular weight of 373.54 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-[[(3R)-1-(2-methoxyethyl)piperidin-3-yl]methyl]piperidine-1-carboxamide is sourced from PubChem (CID 126433119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).