N-(2-morpholin-4-ylethyl)-4-[4-(2-pyrazol-1-ylethylamino)piperidin-1-yl]benzamide

C23H34N6O2 — CID 26340845

IUPACN-(2-morpholin-4-ylethyl)-4-[4-(2-pyrazol-1-ylethylamino)piperidin-1-yl]benzamide
SMILESO=C(NCCN1CCOCC1)c1ccc(N2CCC(NCCn3cccn3)CC2)cc1
InChIInChI=1S/C23H34N6O2/c30-23(25-9-14-27-16-18-31-19-17-27)20-2-4-22(5-3-20)28-12-6-21(7-13-28)24-10-15-29-11-1-8-26-29/h1-5,8,11,21,24H,6-7,9-10,12-19H2,(H,25,30)
InChIKeyMUWIEMRYUHEGDB-UHFFFAOYSA-N
MW426.57 g/mol
LogP1.20
Rot. Bonds9

About N-(2-morpholin-4-ylethyl)-4-[4-(2-pyrazol-1-ylethylamino)piperidin-1-yl]benzamide

N-(2-morpholin-4-ylethyl)-4-[4-(2-pyrazol-1-ylethylamino)piperidin-1-yl]benzamide (PubChem CID 26340845) has the molecular formula C23H34N6O2 and a molecular weight of 426.57 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-4-[4-(2-pyrazol-1-ylethylamino)piperidin-1-yl]benzamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-4-[4-(2-pyrazol-1-ylethylamino)piperidin-1-yl]benzamide
PubChem CID26340845
Molecular FormulaC23H34N6O2
Molecular Weight426.57 g/mol
Exact Mass426.27
IUPAC NameN-(2-morpholin-4-ylethyl)-4-[4-(2-pyrazol-1-ylethylamino)piperidin-1-yl]benzamide
SMILESO=C(NCCN1CCOCC1)c1ccc(N2CCC(NCCn3cccn3)CC2)cc1
InChIInChI=1S/C23H34N6O2/c30-23(25-9-14-27-16-18-31-19-17-27)20-2-4-22(5-3-20)28-12-6-21(7-13-28)24-10-15-29-11-1-8-26-29/h1-5,8,11,21,24H,6-7,9-10,12-19H2,(H,25,30)
InChIKeyMUWIEMRYUHEGDB-UHFFFAOYSA-N
XLogP1.20
TPSA74.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.57
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 111429668
4-(5-methylpyrazol-1-yl)-N-[2-(4-phenylpiperazin-1-yl)ethyl]benzamide
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5-(4-methylpiperidin-1-yl)-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-4-[4-(2-pyrazol-1-ylethylamino)piperidin-1-yl]benzamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)-4-[4-(2-pyrazol-1-ylethylamino)piperidin-1-yl]benzamide (CID 26340845) is N-(2-morpholin-4-ylethyl)-4-[4-(2-pyrazol-1-ylethylamino)piperidin-1-yl]benzamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-4-[4-(2-pyrazol-1-ylethylamino)piperidin-1-yl]benzamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-4-[4-(2-pyrazol-1-ylethylamino)piperidin-1-yl]benzamide is O=C(NCCN1CCOCC1)c1ccc(N2CCC(NCCn3cccn3)CC2)cc1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-4-[4-(2-pyrazol-1-ylethylamino)piperidin-1-yl]benzamide?
The InChIKey is MUWIEMRYUHEGDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N6O2/c30-23(25-9-14-27-16-18-31-19-17-27)20-2-4-22(5-3-20)28-12-6-21(7-13-28)24-10-15-29-11-1-8-26-29/h1-5,8,11,21,24H,6-7,9-10,12-19H2,(H,25,30).
What are the key properties of N-(2-morpholin-4-ylethyl)-4-[4-(2-pyrazol-1-ylethylamino)piperidin-1-yl]benzamide?
N-(2-morpholin-4-ylethyl)-4-[4-(2-pyrazol-1-ylethylamino)piperidin-1-yl]benzamide has a molecular weight of 426.57 g/mol, XLogP of 1.20, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-4-[4-(2-pyrazol-1-ylethylamino)piperidin-1-yl]benzamide is sourced from PubChem (CID 26340845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).