(3R)-1-[[3-(2-methoxyphenyl)phenyl]methyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide

C26H29N3O2 — CID 124965815

IUPAC(3R)-1-[[3-(2-methoxyphenyl)phenyl]methyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide
SMILESCNC(=O)[C@]1(c2ccccn2)CCCN(Cc2cccc(-c3ccccc3OC)c2)C1
InChIInChI=1S/C26H29N3O2/c1-27-25(30)26(24-13-5-6-15-28-24)14-8-16-29(19-26)18-20-9-7-10-21(17-20)22-11-3-4-12-23(22)31-2/h3-7,9-13,15,17H,8,14,16,18-19H2,1-2H3,(H,27,30)/t26-/m1/s1
InChIKeyIHOXRTGBSXANKZ-AREMUKBSSA-N
MW415.54 g/mol
LogP4.04
Rot. Bonds6

About (3R)-1-[[3-(2-methoxyphenyl)phenyl]methyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide

(3R)-1-[[3-(2-methoxyphenyl)phenyl]methyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide (PubChem CID 124965815) has the molecular formula C26H29N3O2 and a molecular weight of 415.54 g/mol. Its IUPAC name is (3R)-1-[[3-(2-methoxyphenyl)phenyl]methyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[[3-(2-methoxyphenyl)phenyl]methyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide
PubChem CID124965815
Molecular FormulaC26H29N3O2
Molecular Weight415.54 g/mol
Exact Mass415.23
IUPAC Name(3R)-1-[[3-(2-methoxyphenyl)phenyl]methyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide
SMILESCNC(=O)[C@]1(c2ccccn2)CCCN(Cc2cccc(-c3ccccc3OC)c2)C1
InChIInChI=1S/C26H29N3O2/c1-27-25(30)26(24-13-5-6-15-28-24)14-8-16-29(19-26)18-20-9-7-10-21(17-20)22-11-3-4-12-23(22)31-2/h3-7,9-13,15,17H,8,14,16,18-19H2,1-2H3,(H,27,30)/t26-/m1/s1
InChIKeyIHOXRTGBSXANKZ-AREMUKBSSA-N
XLogP4.04
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[3-(2-methoxyphenyl)phenyl]methyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide
CID 110149750
1-[[2-(2-methoxyphenyl)phenyl]methyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide
CID 110149805
N-methyl-3-pyridin-2-yl-1-[[2-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-3-carboxamide
CID 110149669
N-[1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidin-4-yl]pyridine-2-carboxamide
CID 134800740
1-[3-methoxy-4-(pyridin-2-ylmethoxy)benzoyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide
CID 110151987
N-methyl-1-(pyridin-2-ylmethyl)-3-[(3-pyridin-4-ylphenyl)methyl]piperidine-3-carboxamide
CID 110232080
(3R)-N-methyl-3-pyridin-2-yl-1-[2-(pyrrolidin-1-ylmethyl)benzoyl]piperidine-3-carboxamide
CID 124979911
3-[1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidin-4-yl]-1,1-dimethylurea
CID 134796961
1-[(3-methoxyphenyl)methyl]-N-methyl-3-pyrazol-1-ylpiperidine-3-carboxamide
CID 155879248
1-[2-(3-methoxyanilino)pyridine-3-carbonyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide
CID 110151518
1-[2-[4-(azepan-1-yl)anilino]-2-oxoethyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide
CID 110152347
N-methyl-3-[(2-phenylphenyl)methyl]-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 110231994

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[[3-(2-methoxyphenyl)phenyl]methyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide?
The IUPAC name of (3R)-1-[[3-(2-methoxyphenyl)phenyl]methyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide (CID 124965815) is (3R)-1-[[3-(2-methoxyphenyl)phenyl]methyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[[3-(2-methoxyphenyl)phenyl]methyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[[3-(2-methoxyphenyl)phenyl]methyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide is CNC(=O)[C@]1(c2ccccn2)CCCN(Cc2cccc(-c3ccccc3OC)c2)C1.
What is the InChIKey of (3R)-1-[[3-(2-methoxyphenyl)phenyl]methyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide?
The InChIKey is IHOXRTGBSXANKZ-AREMUKBSSA-N. The full InChI is InChI=1S/C26H29N3O2/c1-27-25(30)26(24-13-5-6-15-28-24)14-8-16-29(19-26)18-20-9-7-10-21(17-20)22-11-3-4-12-23(22)31-2/h3-7,9-13,15,17H,8,14,16,18-19H2,1-2H3,(H,27,30)/t26-/m1/s1.
What are the key properties of (3R)-1-[[3-(2-methoxyphenyl)phenyl]methyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide?
(3R)-1-[[3-(2-methoxyphenyl)phenyl]methyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide has a molecular weight of 415.54 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[[3-(2-methoxyphenyl)phenyl]methyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 124965815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).