(3R)-1-[(2-methoxyphenyl)methyl]-N-methyl-6-oxo-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide

C22H27N3O3 — CID 26404499

IUPAC(3R)-1-[(2-methoxyphenyl)methyl]-N-methyl-6-oxo-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide
SMILESCOc1ccccc1CN1C[C@H](C(=O)N(C)CCc2ccccn2)CCC1=O
InChIInChI=1S/C22H27N3O3/c1-24(14-12-19-8-5-6-13-23-19)22(27)18-10-11-21(26)25(16-18)15-17-7-3-4-9-20(17)28-2/h3-9,13,18H,10-12,14-16H2,1-2H3/t18-/m1/s1
InChIKeyYOUMUUBQHWBTQB-GOSISDBHSA-N
MW381.48 g/mol
LogP2.53
Rot. Bonds7

About (3R)-1-[(2-methoxyphenyl)methyl]-N-methyl-6-oxo-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide

(3R)-1-[(2-methoxyphenyl)methyl]-N-methyl-6-oxo-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide (PubChem CID 26404499) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is (3R)-1-[(2-methoxyphenyl)methyl]-N-methyl-6-oxo-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[(2-methoxyphenyl)methyl]-N-methyl-6-oxo-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide
PubChem CID26404499
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name(3R)-1-[(2-methoxyphenyl)methyl]-N-methyl-6-oxo-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide
SMILESCOc1ccccc1CN1C[C@H](C(=O)N(C)CCc2ccccn2)CCC1=O
InChIInChI=1S/C22H27N3O3/c1-24(14-12-19-8-5-6-13-23-19)22(27)18-10-11-21(26)25(16-18)15-17-7-3-4-9-20(17)28-2/h3-9,13,18H,10-12,14-16H2,1-2H3/t18-/m1/s1
InChIKeyYOUMUUBQHWBTQB-GOSISDBHSA-N
XLogP2.53
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3R)-1-[(2-methoxyphenyl)methyl]-N-methyl-6-oxo-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide with MolForge

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Related Compounds

1-[(2-methoxyphenyl)methyl]-6-oxo-N-(4-pyridin-2-ylbutyl)piperidine-3-carboxamide
CID 45220426
ethyl 2-[[(3S)-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carbonyl]-methylamino]acetate
CID 42402554
(3R)-N-ethyl-N-(2-hydroxyethyl)-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 97133455
N-ethyl-N-(2-methoxyethyl)-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 72866013
(3R)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-6-oxo-1-(2-pyridin-2-ylethyl)piperidine-3-carboxamide
CID 97128790
N-[2-(2-methoxyphenyl)ethyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 113183926
(5S)-1-[(2-methoxyphenyl)methyl]-5-(4-methoxypiperidine-1-carbonyl)piperidin-2-one
CID 42195316
N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-methyl-6-oxo-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 45167949
(Z)-4-(2-methoxyphenyl)-N,3-dimethyl-N-(2-pyridin-2-ylethyl)but-2-enamide
CID 98289260
methyl 4-[[(3R)-1-[(2-methoxyphenyl)methyl]-6-oxopiperidine-3-carbonyl]amino]butanoate
CID 26406507
N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 72935080
1-[(3-methoxyphenyl)methyl]-N-methyl-6-oxo-N-(pyrazin-2-ylmethyl)piperidine-3-carboxamide
CID 45192902

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(2-methoxyphenyl)methyl]-N-methyl-6-oxo-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-1-[(2-methoxyphenyl)methyl]-N-methyl-6-oxo-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide (CID 26404499) is (3R)-1-[(2-methoxyphenyl)methyl]-N-methyl-6-oxo-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[(2-methoxyphenyl)methyl]-N-methyl-6-oxo-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[(2-methoxyphenyl)methyl]-N-methyl-6-oxo-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide is COc1ccccc1CN1C[C@H](C(=O)N(C)CCc2ccccn2)CCC1=O.
What is the InChIKey of (3R)-1-[(2-methoxyphenyl)methyl]-N-methyl-6-oxo-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide?
The InChIKey is YOUMUUBQHWBTQB-GOSISDBHSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-24(14-12-19-8-5-6-13-23-19)22(27)18-10-11-21(26)25(16-18)15-17-7-3-4-9-20(17)28-2/h3-9,13,18H,10-12,14-16H2,1-2H3/t18-/m1/s1.
What are the key properties of (3R)-1-[(2-methoxyphenyl)methyl]-N-methyl-6-oxo-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide?
(3R)-1-[(2-methoxyphenyl)methyl]-N-methyl-6-oxo-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 2.53, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(2-methoxyphenyl)methyl]-N-methyl-6-oxo-N-(2-pyridin-2-ylethyl)piperidine-3-carboxamide is sourced from PubChem (CID 26404499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).