2-[(1,4-diphenylpiperidin-4-yl)amino]-N-hydroxypyrimidine-5-carboxamide

C22H23N5O2 — CID 118005674

IUPAC2-[(1,4-diphenylpiperidin-4-yl)amino]-N-hydroxypyrimidine-5-carboxamide
SMILESO=C(NO)c1cnc(NC2(c3ccccc3)CCN(c3ccccc3)CC2)nc1
InChIInChI=1S/C22H23N5O2/c28-20(26-29)17-15-23-21(24-16-17)25-22(18-7-3-1-4-8-18)11-13-27(14-12-22)19-9-5-2-6-10-19/h1-10,15-16,29H,11-14H2,(H,26,28)(H,23,24,25)
InChIKeyGJGGYIQXDOFWCX-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.20
Rot. Bonds5

About 2-[(1,4-diphenylpiperidin-4-yl)amino]-N-hydroxypyrimidine-5-carboxamide

2-[(1,4-diphenylpiperidin-4-yl)amino]-N-hydroxypyrimidine-5-carboxamide (PubChem CID 118005674) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is 2-[(1,4-diphenylpiperidin-4-yl)amino]-N-hydroxypyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[(1,4-diphenylpiperidin-4-yl)amino]-N-hydroxypyrimidine-5-carboxamide
PubChem CID118005674
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name2-[(1,4-diphenylpiperidin-4-yl)amino]-N-hydroxypyrimidine-5-carboxamide
SMILESO=C(NO)c1cnc(NC2(c3ccccc3)CCN(c3ccccc3)CC2)nc1
InChIInChI=1S/C22H23N5O2/c28-20(26-29)17-15-23-21(24-16-17)25-22(18-7-3-1-4-8-18)11-13-27(14-12-22)19-9-5-2-6-10-19/h1-10,15-16,29H,11-14H2,(H,26,28)(H,23,24,25)
InChIKeyGJGGYIQXDOFWCX-UHFFFAOYSA-N
XLogP3.20
TPSA90.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(1,4-diphenylpiperidin-4-yl)amino]-N-hydroxypyrimidine-5-carboxamide?
The IUPAC name of 2-[(1,4-diphenylpiperidin-4-yl)amino]-N-hydroxypyrimidine-5-carboxamide (CID 118005674) is 2-[(1,4-diphenylpiperidin-4-yl)amino]-N-hydroxypyrimidine-5-carboxamide.
What is the SMILES notation for 2-[(1,4-diphenylpiperidin-4-yl)amino]-N-hydroxypyrimidine-5-carboxamide?
The canonical SMILES for 2-[(1,4-diphenylpiperidin-4-yl)amino]-N-hydroxypyrimidine-5-carboxamide is O=C(NO)c1cnc(NC2(c3ccccc3)CCN(c3ccccc3)CC2)nc1.
What is the InChIKey of 2-[(1,4-diphenylpiperidin-4-yl)amino]-N-hydroxypyrimidine-5-carboxamide?
The InChIKey is GJGGYIQXDOFWCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c28-20(26-29)17-15-23-21(24-16-17)25-22(18-7-3-1-4-8-18)11-13-27(14-12-22)19-9-5-2-6-10-19/h1-10,15-16,29H,11-14H2,(H,26,28)(H,23,24,25).
What are the key properties of 2-[(1,4-diphenylpiperidin-4-yl)amino]-N-hydroxypyrimidine-5-carboxamide?
2-[(1,4-diphenylpiperidin-4-yl)amino]-N-hydroxypyrimidine-5-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 3.20, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,4-diphenylpiperidin-4-yl)amino]-N-hydroxypyrimidine-5-carboxamide is sourced from PubChem (CID 118005674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).