(3R)-N-[[2-(phenoxymethyl)phenyl]methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide

C24H26N4O2 — CID 37400735

IUPAC(3R)-N-[[2-(phenoxymethyl)phenyl]methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
SMILESO=C(NCc1ccccc1COc1ccccc1)[C@@H]1CCCN(c2cnccn2)C1
InChIInChI=1S/C24H26N4O2/c29-24(20-9-6-14-28(17-20)23-16-25-12-13-26-23)27-15-19-7-4-5-8-21(19)18-30-22-10-2-1-3-11-22/h1-5,7-8,10-13,16,20H,6,9,14-15,17-18H2,(H,27,29)/t20-/m1/s1
InChIKeyVCYRTUYLTIDIMP-HXUWFJFHSA-N
MW402.50 g/mol
LogP3.59
Rot. Bonds7

About (3R)-N-[[2-(phenoxymethyl)phenyl]methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide

(3R)-N-[[2-(phenoxymethyl)phenyl]methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide (PubChem CID 37400735) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is (3R)-N-[[2-(phenoxymethyl)phenyl]methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[[2-(phenoxymethyl)phenyl]methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
PubChem CID37400735
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC Name(3R)-N-[[2-(phenoxymethyl)phenyl]methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
SMILESO=C(NCc1ccccc1COc1ccccc1)[C@@H]1CCCN(c2cnccn2)C1
InChIInChI=1S/C24H26N4O2/c29-24(20-9-6-14-28(17-20)23-16-25-12-13-26-23)27-15-19-7-4-5-8-21(19)18-30-22-10-2-1-3-11-22/h1-5,7-8,10-13,16,20H,6,9,14-15,17-18H2,(H,27,29)/t20-/m1/s1
InChIKeyVCYRTUYLTIDIMP-HXUWFJFHSA-N
XLogP3.59
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(naphthalen-1-ylmethyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 71942635
(3S)-N-[[2-(dimethylamino)-3-pyridinyl]methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 92862538
(3S)-N-(furan-2-ylmethyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 40639433
(3S)-N-[(2R)-2-hydroxy-2-phenylethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 94068386
(3R)-N-[(2S)-2-hydroxy-2-phenylethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 94068382
(3R)-N-[(4-chlorophenyl)methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 40639434
N-(2-phenylpropyl)-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 46596626
1-pyrazin-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide
CID 46573519
N-prop-2-enyl-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 23607875
(3S)-N-[2-(2,6-dimethylphenoxy)ethyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
CID 51950392
[4-(2-phenoxyethyl)piperazin-1-yl]-[(3R)-1-pyrazin-2-ylpiperidin-3-yl]methanone
CID 51934537
ethyl N-[[(3R)-1-pyrazin-2-ylpiperidine-3-carbonyl]amino]carbamate
CID 37002369

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[[2-(phenoxymethyl)phenyl]methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide?
The IUPAC name of (3R)-N-[[2-(phenoxymethyl)phenyl]methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide (CID 37400735) is (3R)-N-[[2-(phenoxymethyl)phenyl]methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[[2-(phenoxymethyl)phenyl]methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[[2-(phenoxymethyl)phenyl]methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide is O=C(NCc1ccccc1COc1ccccc1)[C@@H]1CCCN(c2cnccn2)C1.
What is the InChIKey of (3R)-N-[[2-(phenoxymethyl)phenyl]methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide?
The InChIKey is VCYRTUYLTIDIMP-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H26N4O2/c29-24(20-9-6-14-28(17-20)23-16-25-12-13-26-23)27-15-19-7-4-5-8-21(19)18-30-22-10-2-1-3-11-22/h1-5,7-8,10-13,16,20H,6,9,14-15,17-18H2,(H,27,29)/t20-/m1/s1.
What are the key properties of (3R)-N-[[2-(phenoxymethyl)phenyl]methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide?
(3R)-N-[[2-(phenoxymethyl)phenyl]methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide has a molecular weight of 402.50 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[[2-(phenoxymethyl)phenyl]methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 37400735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).