4-(2-hydroxy-2-phenylethyl)-N-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]piperazine-1-carboxamide

C25H28N4O3 — CID 86974702

IUPAC4-(2-hydroxy-2-phenylethyl)-N-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]piperazine-1-carboxamide
SMILESCc1ccc(Oc2ccc(NC(=O)N3CCN(CC(O)c4ccccc4)CC3)cc2)nc1
InChIInChI=1S/C25H28N4O3/c1-19-7-12-24(26-17-19)32-22-10-8-21(9-11-22)27-25(31)29-15-13-28(14-16-29)18-23(30)20-5-3-2-4-6-20/h2-12,17,23,30H,13-16,18H2,1H3,(H,27,31)
InChIKeyRQMQIOHZRMCBRY-UHFFFAOYSA-N
MW432.52 g/mol
LogP4.07
Rot. Bonds6

About 4-(2-hydroxy-2-phenylethyl)-N-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]piperazine-1-carboxamide

4-(2-hydroxy-2-phenylethyl)-N-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]piperazine-1-carboxamide (PubChem CID 86974702) has the molecular formula C25H28N4O3 and a molecular weight of 432.52 g/mol. Its IUPAC name is 4-(2-hydroxy-2-phenylethyl)-N-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-hydroxy-2-phenylethyl)-N-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]piperazine-1-carboxamide
PubChem CID86974702
Molecular FormulaC25H28N4O3
Molecular Weight432.52 g/mol
Exact Mass432.22
IUPAC Name4-(2-hydroxy-2-phenylethyl)-N-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]piperazine-1-carboxamide
SMILESCc1ccc(Oc2ccc(NC(=O)N3CCN(CC(O)c4ccccc4)CC3)cc2)nc1
InChIInChI=1S/C25H28N4O3/c1-19-7-12-24(26-17-19)32-22-10-8-21(9-11-22)27-25(31)29-15-13-28(14-16-29)18-23(30)20-5-3-2-4-6-20/h2-12,17,23,30H,13-16,18H2,1H3,(H,27,31)
InChIKeyRQMQIOHZRMCBRY-UHFFFAOYSA-N
XLogP4.07
TPSA77.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(2-hydroxy-2-phenylethyl)-N-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]piperazine-1-carboxamide with MolForge

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Related Compounds

4-cyclopropyl-N-[6-(4-methylphenoxy)-3-pyridinyl]piperazine-1-carboxamide
CID 127348584
1-N-(3-methylphenyl)-4-N-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]piperidine-1,4-dicarboxamide
CID 86947008
N-[6-(4-fluorophenoxy)-3-pyridinyl]-4-[hydroxy(phenyl)methyl]piperidine-1-carboxamide
CID 55743984
4-[2-(4-methylphenoxy)ethyl]-N-phenylpiperazine-1-carboxamide
CID 110638151
ethyl 4-[(2S)-2-hydroxy-2-phenylethyl]piperazine-1-carboxylate
CID 2106477
[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 95351959
4-(4-methylphenyl)-N-(4-phenoxyphenyl)piperazine-1-carboxamide
CID 113111310
4-(5-methyl-2-pyridinyl)-N-phenylpiperazine-1-carboxamide
CID 59676624
N-(4-ethoxyphenyl)-4-(2-methylpropyl)piperazine-1-carboxamide
CID 17184958
N-[6-(4-fluorophenoxy)-3-pyridinyl]-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide
CID 55743828
1-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]-3-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]urea
CID 86947728
1-[[4-[(5-chloro-2-pyridinyl)oxy]phenyl]carbamoyl]piperidine-4-carboxylic acid
CID 122085769

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxy-2-phenylethyl)-N-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]piperazine-1-carboxamide?
The IUPAC name of 4-(2-hydroxy-2-phenylethyl)-N-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]piperazine-1-carboxamide (CID 86974702) is 4-(2-hydroxy-2-phenylethyl)-N-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-hydroxy-2-phenylethyl)-N-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(2-hydroxy-2-phenylethyl)-N-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]piperazine-1-carboxamide is Cc1ccc(Oc2ccc(NC(=O)N3CCN(CC(O)c4ccccc4)CC3)cc2)nc1.
What is the InChIKey of 4-(2-hydroxy-2-phenylethyl)-N-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]piperazine-1-carboxamide?
The InChIKey is RQMQIOHZRMCBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3/c1-19-7-12-24(26-17-19)32-22-10-8-21(9-11-22)27-25(31)29-15-13-28(14-16-29)18-23(30)20-5-3-2-4-6-20/h2-12,17,23,30H,13-16,18H2,1H3,(H,27,31).
What are the key properties of 4-(2-hydroxy-2-phenylethyl)-N-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]piperazine-1-carboxamide?
4-(2-hydroxy-2-phenylethyl)-N-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]piperazine-1-carboxamide has a molecular weight of 432.52 g/mol, XLogP of 4.07, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxy-2-phenylethyl)-N-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]piperazine-1-carboxamide is sourced from PubChem (CID 86974702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).