(3R,5S)-N-[(2-methoxyphenyl)methyl]-5-(pyridin-3-yloxymethyl)piperidine-3-carboxamide

C20H25N3O3 — CID 56857865

IUPAC(3R,5S)-N-[(2-methoxyphenyl)methyl]-5-(pyridin-3-yloxymethyl)piperidine-3-carboxamide
SMILESCOc1ccccc1CNC(=O)[C@H]1CNC[C@@H](COc2cccnc2)C1
InChIInChI=1S/C20H25N3O3/c1-25-19-7-3-2-5-16(19)12-23-20(24)17-9-15(10-22-11-17)14-26-18-6-4-8-21-13-18/h2-8,13,15,17,22H,9-12,14H2,1H3,(H,23,24)/t15-,17+/m0/s1
InChIKeyZYZCXWQLSOLFHW-DOTOQJQBSA-N
MW355.44 g/mol
LogP2.01
Rot. Bonds7

About (3R,5S)-N-[(2-methoxyphenyl)methyl]-5-(pyridin-3-yloxymethyl)piperidine-3-carboxamide

(3R,5S)-N-[(2-methoxyphenyl)methyl]-5-(pyridin-3-yloxymethyl)piperidine-3-carboxamide (PubChem CID 56857865) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is (3R,5S)-N-[(2-methoxyphenyl)methyl]-5-(pyridin-3-yloxymethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R,5S)-N-[(2-methoxyphenyl)methyl]-5-(pyridin-3-yloxymethyl)piperidine-3-carboxamide
PubChem CID56857865
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name(3R,5S)-N-[(2-methoxyphenyl)methyl]-5-(pyridin-3-yloxymethyl)piperidine-3-carboxamide
SMILESCOc1ccccc1CNC(=O)[C@H]1CNC[C@@H](COc2cccnc2)C1
InChIInChI=1S/C20H25N3O3/c1-25-19-7-3-2-5-16(19)12-23-20(24)17-9-15(10-22-11-17)14-26-18-6-4-8-21-13-18/h2-8,13,15,17,22H,9-12,14H2,1H3,(H,23,24)/t15-,17+/m0/s1
InChIKeyZYZCXWQLSOLFHW-DOTOQJQBSA-N
XLogP2.01
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide
CID 95191447
(3R,5S)-N-[(3,5-dimethylphenyl)methyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]piperidine-3-carboxamide
CID 56855902
(3R,5S)-N-[(2-methoxyphenyl)methyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]-1-(naphthalen-2-ylmethyl)piperidine-3-carboxamide
CID 56859162
(2S,4S)-N-[(2-methoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide
CID 120616660
N-[2-(2-methoxyphenyl)ethyl]azetidine-3-carboxamide
CID 113411784
N-[2-(2-methoxyphenyl)ethyl]-5-methylpiperidine-3-carboxamide
CID 106261488
(3S)-N-[(2-methoxy-3-pyridinyl)methyl]piperidine-3-carboxamide
CID 81124657
N-(2-methoxyphenyl)-2-(pyridin-3-yloxymethyl)piperazine-1-carboxamide
CID 24878232
1-[2-(2-methoxyphenyl)acetyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 46600585
4-hydroxy-N-[(2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 43120719
N-[(2-methoxyphenyl)methyl]-4-oxo-1-(pyridin-3-ylmethyl)-1,5-diazacycloundecane-8-carboxamide
CID 110199568
N-[(2-methoxyphenyl)methyl]-1-methylpiperazine-2-carboxamide
CID 115177811

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-N-[(2-methoxyphenyl)methyl]-5-(pyridin-3-yloxymethyl)piperidine-3-carboxamide?
The IUPAC name of (3R,5S)-N-[(2-methoxyphenyl)methyl]-5-(pyridin-3-yloxymethyl)piperidine-3-carboxamide (CID 56857865) is (3R,5S)-N-[(2-methoxyphenyl)methyl]-5-(pyridin-3-yloxymethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R,5S)-N-[(2-methoxyphenyl)methyl]-5-(pyridin-3-yloxymethyl)piperidine-3-carboxamide?
The canonical SMILES for (3R,5S)-N-[(2-methoxyphenyl)methyl]-5-(pyridin-3-yloxymethyl)piperidine-3-carboxamide is COc1ccccc1CNC(=O)[C@H]1CNC[C@@H](COc2cccnc2)C1.
What is the InChIKey of (3R,5S)-N-[(2-methoxyphenyl)methyl]-5-(pyridin-3-yloxymethyl)piperidine-3-carboxamide?
The InChIKey is ZYZCXWQLSOLFHW-DOTOQJQBSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-25-19-7-3-2-5-16(19)12-23-20(24)17-9-15(10-22-11-17)14-26-18-6-4-8-21-13-18/h2-8,13,15,17,22H,9-12,14H2,1H3,(H,23,24)/t15-,17+/m0/s1.
What are the key properties of (3R,5S)-N-[(2-methoxyphenyl)methyl]-5-(pyridin-3-yloxymethyl)piperidine-3-carboxamide?
(3R,5S)-N-[(2-methoxyphenyl)methyl]-5-(pyridin-3-yloxymethyl)piperidine-3-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 2.01, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-N-[(2-methoxyphenyl)methyl]-5-(pyridin-3-yloxymethyl)piperidine-3-carboxamide is sourced from PubChem (CID 56857865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).