N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide

C22H29N5O2 — CID 42950784

IUPACN-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
SMILESO=C(NCc1ccccc1CN1CCOCC1)C1CCCN(c2cnccn2)C1
InChIInChI=1S/C22H29N5O2/c28-22(20-6-3-9-27(17-20)21-15-23-7-8-24-21)25-14-18-4-1-2-5-19(18)16-26-10-12-29-13-11-26/h1-2,4-5,7-8,15,20H,3,6,9-14,16-17H2,(H,25,28)
InChIKeyUQCITXWHQQGPFA-UHFFFAOYSA-N
MW395.51 g/mol
LogP1.84
Rot. Bonds6

About N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide

N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide (PubChem CID 42950784) has the molecular formula C22H29N5O2 and a molecular weight of 395.51 g/mol. Its IUPAC name is N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
PubChem CID42950784
Molecular FormulaC22H29N5O2
Molecular Weight395.51 g/mol
Exact Mass395.23
IUPAC NameN-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
SMILESO=C(NCc1ccccc1CN1CCOCC1)C1CCCN(c2cnccn2)C1
InChIInChI=1S/C22H29N5O2/c28-22(20-6-3-9-27(17-20)21-15-23-7-8-24-21)25-14-18-4-1-2-5-19(18)16-26-10-12-29-13-11-26/h1-2,4-5,7-8,15,20H,3,6,9-14,16-17H2,(H,25,28)
InChIKeyUQCITXWHQQGPFA-UHFFFAOYSA-N
XLogP1.84
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide?
The IUPAC name of N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide (CID 42950784) is N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide is O=C(NCc1ccccc1CN1CCOCC1)C1CCCN(c2cnccn2)C1.
What is the InChIKey of N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide?
The InChIKey is UQCITXWHQQGPFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O2/c28-22(20-6-3-9-27(17-20)21-15-23-7-8-24-21)25-14-18-4-1-2-5-19(18)16-26-10-12-29-13-11-26/h1-2,4-5,7-8,15,20H,3,6,9-14,16-17H2,(H,25,28).
What are the key properties of N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide?
N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide has a molecular weight of 395.51 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 42950784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).