1-pyrazin-2-yl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-4-carboxamide

C23H25N5O2 — CID 55712011

IUPAC1-pyrazin-2-yl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-4-carboxamide
SMILESO=C(NCc1cccc(OCc2ccccn2)c1)C1CCN(c2cnccn2)CC1
InChIInChI=1S/C23H25N5O2/c29-23(19-7-12-28(13-8-19)22-16-24-10-11-26-22)27-15-18-4-3-6-21(14-18)30-17-20-5-1-2-9-25-20/h1-6,9-11,14,16,19H,7-8,12-13,15,17H2,(H,27,29)
InChIKeyMJQJUZXVUWEJNG-UHFFFAOYSA-N
MW403.49 g/mol
LogP2.98
Rot. Bonds7

About 1-pyrazin-2-yl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-4-carboxamide

1-pyrazin-2-yl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-4-carboxamide (PubChem CID 55712011) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is 1-pyrazin-2-yl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-pyrazin-2-yl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-4-carboxamide
PubChem CID55712011
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC Name1-pyrazin-2-yl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-4-carboxamide
SMILESO=C(NCc1cccc(OCc2ccccn2)c1)C1CCN(c2cnccn2)CC1
InChIInChI=1S/C23H25N5O2/c29-23(19-7-12-28(13-8-19)22-16-24-10-11-26-22)27-15-18-4-3-6-21(14-18)30-17-20-5-1-2-9-25-20/h1-6,9-11,14,16,19H,7-8,12-13,15,17H2,(H,27,29)
InChIKeyMJQJUZXVUWEJNG-UHFFFAOYSA-N
XLogP2.98
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3-hydroxyphenyl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 136578446
N-[(4-methoxyphenyl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 3222630
1-pyrazin-2-yl-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxamide
CID 23609091
3-(1-pyrazin-2-ylpiperidin-4-yl)oxy-N-(pyridin-2-ylmethyl)benzamide
CID 72889997
(3S)-1-(1-pyrazin-2-ylpiperidin-4-yl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 95555076
1-(4-chlorobenzoyl)-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-3-carboxamide
CID 55709282
N-[(4-acetamidophenyl)methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 38797292
1-pyrazin-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 38793437
N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 78875900
N-[[4-(dimethylcarbamoyl)phenyl]methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 134053537
N-[[4-(methylcarbamoyl)phenyl]methyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 134007284
N-(2-methoxyphenyl)-2-[4-[(3-methoxyphenyl)methylcarbamoyl]piperidin-1-yl]pyridine-4-carboxamide
CID 46360662

Frequently Asked Questions

What is the IUPAC name of 1-pyrazin-2-yl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-4-carboxamide?
The IUPAC name of 1-pyrazin-2-yl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-4-carboxamide (CID 55712011) is 1-pyrazin-2-yl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-pyrazin-2-yl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-pyrazin-2-yl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-4-carboxamide is O=C(NCc1cccc(OCc2ccccn2)c1)C1CCN(c2cnccn2)CC1.
What is the InChIKey of 1-pyrazin-2-yl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-4-carboxamide?
The InChIKey is MJQJUZXVUWEJNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2/c29-23(19-7-12-28(13-8-19)22-16-24-10-11-26-22)27-15-18-4-3-6-21(14-18)30-17-20-5-1-2-9-25-20/h1-6,9-11,14,16,19H,7-8,12-13,15,17H2,(H,27,29).
What are the key properties of 1-pyrazin-2-yl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-4-carboxamide?
1-pyrazin-2-yl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-4-carboxamide has a molecular weight of 403.49 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrazin-2-yl-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 55712011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).