N-[(2R,4S)-1-benzyl-2-methylpiperidin-4-yl]-N-methyl-3,4-dihydro-2H-pyran-5-carboxamide

C20H28N2O2 — CID 97317575

IUPACN-[(2R,4S)-1-benzyl-2-methylpiperidin-4-yl]-N-methyl-3,4-dihydro-2H-pyran-5-carboxamide
SMILESC[C@@H]1C[C@@H](N(C)C(=O)C2=COCCC2)CCN1Cc1ccccc1
InChIInChI=1S/C20H28N2O2/c1-16-13-19(21(2)20(23)18-9-6-12-24-15-18)10-11-22(16)14-17-7-4-3-5-8-17/h3-5,7-8,15-16,19H,6,9-14H2,1-2H3/t16-,19+/m1/s1
InChIKeyXZTCNSOFWYGOAG-APWZRJJASA-N
MW328.46 g/mol
LogP3.19
Rot. Bonds4

About N-[(2R,4S)-1-benzyl-2-methylpiperidin-4-yl]-N-methyl-3,4-dihydro-2H-pyran-5-carboxamide

N-[(2R,4S)-1-benzyl-2-methylpiperidin-4-yl]-N-methyl-3,4-dihydro-2H-pyran-5-carboxamide (PubChem CID 97317575) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is N-[(2R,4S)-1-benzyl-2-methylpiperidin-4-yl]-N-methyl-3,4-dihydro-2H-pyran-5-carboxamide.

Molecular Properties

Compound NameN-[(2R,4S)-1-benzyl-2-methylpiperidin-4-yl]-N-methyl-3,4-dihydro-2H-pyran-5-carboxamide
PubChem CID97317575
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC NameN-[(2R,4S)-1-benzyl-2-methylpiperidin-4-yl]-N-methyl-3,4-dihydro-2H-pyran-5-carboxamide
SMILESC[C@@H]1C[C@@H](N(C)C(=O)C2=COCCC2)CCN1Cc1ccccc1
InChIInChI=1S/C20H28N2O2/c1-16-13-19(21(2)20(23)18-9-6-12-24-15-18)10-11-22(16)14-17-7-4-3-5-8-17/h3-5,7-8,15-16,19H,6,9-14H2,1-2H3/t16-,19+/m1/s1
InChIKeyXZTCNSOFWYGOAG-APWZRJJASA-N
XLogP3.19
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[(2R,4S)-1-benzyl-2-methylpiperidin-4-yl]-N-methyl-3,4-dihydro-2H-pyran-5-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[2-[[(2R,4R)-1-benzyl-2-methylpiperidin-4-yl]-methylamino]-2-oxoethyl]cyclopropanecarboxamide
CID 95632729
2-amino-N-(1-benzyl-2-methylpiperidin-4-yl)-N,2-dimethylpropanamide;dihydrochloride
CID 119883039
1-amino-N-(1-benzyl-2-methylpiperidin-4-yl)-N-methylcyclopropane-1-carboxamide
CID 119883030
3-amino-N-(1-benzyl-2-methylpiperidin-4-yl)-N-methylcyclopentane-1-carboxamide;dihydrochloride
CID 119883053
5-amino-N-(1-benzyl-2-methylpiperidin-4-yl)-N,2-dimethylbenzamide
CID 120646621
N-[(2S,4R)-1-benzyl-2-methylpiperidin-4-yl]-5-cyclopropyl-N-methyl-1,2-oxazole-3-carboxamide
CID 124606981
(2S)-2-amino-N-[(2R,4S)-1-benzyl-2-methylpiperidin-4-yl]-N,3,3-trimethylbutanamide
CID 124691163
(2S)-2-amino-N-[(2R,4R)-1-benzyl-2-methylpiperidin-4-yl]-N-methylbutanamide
CID 124604392
(2S)-2-amino-N-[(2R,4R)-1-benzyl-2-methylpiperidin-4-yl]-N-methyl-3-phenylpropanamide
CID 124693760
3-[[(1-benzyl-2-methylpiperidin-4-yl)-methylamino]methyl]benzoic acid
CID 122029049
1-[(2S,4S)-1-benzyl-2-methylpiperidin-4-yl]-1-methyl-3-pyridin-4-ylurea
CID 95632987
(3S)-3-amino-N-[(2R,4S)-1-benzyl-2-methylpiperidin-4-yl]-N-methyl-3-phenylpropanamide
CID 125120935

Frequently Asked Questions

What is the IUPAC name of N-[(2R,4S)-1-benzyl-2-methylpiperidin-4-yl]-N-methyl-3,4-dihydro-2H-pyran-5-carboxamide?
The IUPAC name of N-[(2R,4S)-1-benzyl-2-methylpiperidin-4-yl]-N-methyl-3,4-dihydro-2H-pyran-5-carboxamide (CID 97317575) is N-[(2R,4S)-1-benzyl-2-methylpiperidin-4-yl]-N-methyl-3,4-dihydro-2H-pyran-5-carboxamide.
What is the SMILES notation for N-[(2R,4S)-1-benzyl-2-methylpiperidin-4-yl]-N-methyl-3,4-dihydro-2H-pyran-5-carboxamide?
The canonical SMILES for N-[(2R,4S)-1-benzyl-2-methylpiperidin-4-yl]-N-methyl-3,4-dihydro-2H-pyran-5-carboxamide is C[C@@H]1C[C@@H](N(C)C(=O)C2=COCCC2)CCN1Cc1ccccc1.
What is the InChIKey of N-[(2R,4S)-1-benzyl-2-methylpiperidin-4-yl]-N-methyl-3,4-dihydro-2H-pyran-5-carboxamide?
The InChIKey is XZTCNSOFWYGOAG-APWZRJJASA-N. The full InChI is InChI=1S/C20H28N2O2/c1-16-13-19(21(2)20(23)18-9-6-12-24-15-18)10-11-22(16)14-17-7-4-3-5-8-17/h3-5,7-8,15-16,19H,6,9-14H2,1-2H3/t16-,19+/m1/s1.
What are the key properties of N-[(2R,4S)-1-benzyl-2-methylpiperidin-4-yl]-N-methyl-3,4-dihydro-2H-pyran-5-carboxamide?
N-[(2R,4S)-1-benzyl-2-methylpiperidin-4-yl]-N-methyl-3,4-dihydro-2H-pyran-5-carboxamide has a molecular weight of 328.46 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,4S)-1-benzyl-2-methylpiperidin-4-yl]-N-methyl-3,4-dihydro-2H-pyran-5-carboxamide is sourced from PubChem (CID 97317575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).