(3R,4R)-N-benzyl-4-hydroxy-4-(2-methoxyethyl)-3-methylpiperidine-1-carboxamide

C17H26N2O3 — CID 72913982

IUPAC(3R,4R)-N-benzyl-4-hydroxy-4-(2-methoxyethyl)-3-methylpiperidine-1-carboxamide
SMILESCOCC[C@]1(O)CCN(C(=O)NCc2ccccc2)C[C@H]1C
InChIInChI=1S/C17H26N2O3/c1-14-13-19(10-8-17(14,21)9-11-22-2)16(20)18-12-15-6-4-3-5-7-15/h3-7,14,21H,8-13H2,1-2H3,(H,18,20)/t14-,17-/m1/s1
InChIKeyMNJRPZYJBPAYCO-RHSMWYFYSA-N
MW306.41 g/mol
LogP2.01
Rot. Bonds5

About (3R,4R)-N-benzyl-4-hydroxy-4-(2-methoxyethyl)-3-methylpiperidine-1-carboxamide

(3R,4R)-N-benzyl-4-hydroxy-4-(2-methoxyethyl)-3-methylpiperidine-1-carboxamide (PubChem CID 72913982) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is (3R,4R)-N-benzyl-4-hydroxy-4-(2-methoxyethyl)-3-methylpiperidine-1-carboxamide.

Molecular Properties

Compound Name(3R,4R)-N-benzyl-4-hydroxy-4-(2-methoxyethyl)-3-methylpiperidine-1-carboxamide
PubChem CID72913982
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Name(3R,4R)-N-benzyl-4-hydroxy-4-(2-methoxyethyl)-3-methylpiperidine-1-carboxamide
SMILESCOCC[C@]1(O)CCN(C(=O)NCc2ccccc2)C[C@H]1C
InChIInChI=1S/C17H26N2O3/c1-14-13-19(10-8-17(14,21)9-11-22-2)16(20)18-12-15-6-4-3-5-7-15/h3-7,14,21H,8-13H2,1-2H3,(H,18,20)/t14-,17-/m1/s1
InChIKeyMNJRPZYJBPAYCO-RHSMWYFYSA-N
XLogP2.01
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-4-hydroxy-4-(2-methoxyethyl)-3-methylpiperidine-1-carboxamide
CID 156605068
N-benzyl-3-methoxypyrrolidine-1-carboxamide
CID 107653241
N-benzyl-4,4-dimethylpiperidine-1-carboxamide
CID 110749470
N-benzyl-4-(2-methoxyethyl)-3-oxo-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide
CID 46113036
N-benzyl-4-methylpiperidine-1-carboxamide
CID 18715459
N-benzyl-4-hydroxy-3-methylpiperidine-1-carboxamide
CID 104954561
cycloheptyl-[4-hydroxy-4-(2-methoxyethyl)-3-methylpiperidin-1-yl]methanone
CID 156603388
[(3R,4R)-4-hydroxy-4-(2-methoxyethyl)-3-methylpiperidin-1-yl]-[5-(pyrrolidin-1-ylmethyl)furan-2-yl]methanone
CID 72859934
N-benzyl-3-methyl-4-oxopiperidine-1-carboxamide
CID 107653612
N-benzyl-4,4-dimethylazepane-1-carboxamide
CID 103713688
[3-(4-fluorophenyl)phenyl]-[(3S,4S)-4-hydroxy-4-(2-methoxyethyl)-3-methylpiperidin-1-yl]methanone
CID 133111598
N-benzyl-3-methoxy-3-methylazetidine-1-carboxamide
CID 130941448

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-N-benzyl-4-hydroxy-4-(2-methoxyethyl)-3-methylpiperidine-1-carboxamide?
The IUPAC name of (3R,4R)-N-benzyl-4-hydroxy-4-(2-methoxyethyl)-3-methylpiperidine-1-carboxamide (CID 72913982) is (3R,4R)-N-benzyl-4-hydroxy-4-(2-methoxyethyl)-3-methylpiperidine-1-carboxamide.
What is the SMILES notation for (3R,4R)-N-benzyl-4-hydroxy-4-(2-methoxyethyl)-3-methylpiperidine-1-carboxamide?
The canonical SMILES for (3R,4R)-N-benzyl-4-hydroxy-4-(2-methoxyethyl)-3-methylpiperidine-1-carboxamide is COCC[C@]1(O)CCN(C(=O)NCc2ccccc2)C[C@H]1C.
What is the InChIKey of (3R,4R)-N-benzyl-4-hydroxy-4-(2-methoxyethyl)-3-methylpiperidine-1-carboxamide?
The InChIKey is MNJRPZYJBPAYCO-RHSMWYFYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-14-13-19(10-8-17(14,21)9-11-22-2)16(20)18-12-15-6-4-3-5-7-15/h3-7,14,21H,8-13H2,1-2H3,(H,18,20)/t14-,17-/m1/s1.
What are the key properties of (3R,4R)-N-benzyl-4-hydroxy-4-(2-methoxyethyl)-3-methylpiperidine-1-carboxamide?
(3R,4R)-N-benzyl-4-hydroxy-4-(2-methoxyethyl)-3-methylpiperidine-1-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-N-benzyl-4-hydroxy-4-(2-methoxyethyl)-3-methylpiperidine-1-carboxamide is sourced from PubChem (CID 72913982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).