N-[[4-(5-chloropyrimidin-2-yl)oxyphenyl]carbamoyl]-2-piperidin-1-ylbenzamide

C23H22ClN5O3 — CID 24834316

IUPACN-[[4-(5-chloropyrimidin-2-yl)oxyphenyl]carbamoyl]-2-piperidin-1-ylbenzamide
SMILESO=C(NC(=O)c1ccccc1N1CCCCC1)Nc1ccc(Oc2ncc(Cl)cn2)cc1
InChIInChI=1S/C23H22ClN5O3/c24-16-14-25-23(26-15-16)32-18-10-8-17(9-11-18)27-22(31)28-21(30)19-6-2-3-7-20(19)29-12-4-1-5-13-29/h2-3,6-11,14-15H,1,4-5,12-13H2,(H2,27,28,30,31)
InChIKeyKDGSWVUZSNRCQU-UHFFFAOYSA-N
MW451.91 g/mol
LogP4.87
Rot. Bonds5

About N-[[4-(5-chloropyrimidin-2-yl)oxyphenyl]carbamoyl]-2-piperidin-1-ylbenzamide

N-[[4-(5-chloropyrimidin-2-yl)oxyphenyl]carbamoyl]-2-piperidin-1-ylbenzamide (PubChem CID 24834316) has the molecular formula C23H22ClN5O3 and a molecular weight of 451.91 g/mol. Its IUPAC name is N-[[4-(5-chloropyrimidin-2-yl)oxyphenyl]carbamoyl]-2-piperidin-1-ylbenzamide.

Molecular Properties

Compound NameN-[[4-(5-chloropyrimidin-2-yl)oxyphenyl]carbamoyl]-2-piperidin-1-ylbenzamide
PubChem CID24834316
Molecular FormulaC23H22ClN5O3
Molecular Weight451.91 g/mol
Exact Mass451.14
IUPAC NameN-[[4-(5-chloropyrimidin-2-yl)oxyphenyl]carbamoyl]-2-piperidin-1-ylbenzamide
SMILESO=C(NC(=O)c1ccccc1N1CCCCC1)Nc1ccc(Oc2ncc(Cl)cn2)cc1
InChIInChI=1S/C23H22ClN5O3/c24-16-14-25-23(26-15-16)32-18-10-8-17(9-11-18)27-22(31)28-21(30)19-6-2-3-7-20(19)29-12-4-1-5-13-29/h2-3,6-11,14-15H,1,4-5,12-13H2,(H2,27,28,30,31)
InChIKeyKDGSWVUZSNRCQU-UHFFFAOYSA-N
XLogP4.87
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.91
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-phenyl-2-pyrrolidin-1-ylbenzamide
CID 168515905
N-[[4-(5-chloropyrimidin-2-yl)oxy-3-methylphenyl]carbamoyl]-2-(diethylamino)benzamide
CID 19900376
2-chloro-N-[[3-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]carbamoyl]benzamide
CID 13254511
2-[[3-(5-chloropyrimidin-2-yl)oxy-4-ethylphenyl]carbamoylcarbamoyl]-N-hydroxybenzeneamine oxide
CID 21141269
N-(4-phenoxyphenyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 84575248
2-chloro-N-[[3-chloro-4-(4-chlorophenoxy)phenyl]carbamoyl]benzamide
CID 44561285
2-chloro-N-[[3-chloro-4-[(3,5-dichloro-2-pyridinyl)oxy]phenyl]carbamoyl]benzamide
CID 70629375
2-[[4-(5-chloropyrimidin-2-yl)oxy-3-methylphenyl]carbamoylcarbamoyl]-N-hydroxybenzeneamine oxide
CID 21141267
N-[4-(4-methoxyphenoxy)phenyl]-2-morpholin-4-ylbenzamide
CID 131937049
2-pyrrolidin-1-ylbenzoyl chloride
CID 140507858
4-phenoxy-N-(4-piperidin-1-ylphenyl)benzamide
CID 7922461
N-cyclohexyl-2-pyrrolidin-1-ylbenzamide
CID 168514596

Frequently Asked Questions

What is the IUPAC name of N-[[4-(5-chloropyrimidin-2-yl)oxyphenyl]carbamoyl]-2-piperidin-1-ylbenzamide?
The IUPAC name of N-[[4-(5-chloropyrimidin-2-yl)oxyphenyl]carbamoyl]-2-piperidin-1-ylbenzamide (CID 24834316) is N-[[4-(5-chloropyrimidin-2-yl)oxyphenyl]carbamoyl]-2-piperidin-1-ylbenzamide.
What is the SMILES notation for N-[[4-(5-chloropyrimidin-2-yl)oxyphenyl]carbamoyl]-2-piperidin-1-ylbenzamide?
The canonical SMILES for N-[[4-(5-chloropyrimidin-2-yl)oxyphenyl]carbamoyl]-2-piperidin-1-ylbenzamide is O=C(NC(=O)c1ccccc1N1CCCCC1)Nc1ccc(Oc2ncc(Cl)cn2)cc1.
What is the InChIKey of N-[[4-(5-chloropyrimidin-2-yl)oxyphenyl]carbamoyl]-2-piperidin-1-ylbenzamide?
The InChIKey is KDGSWVUZSNRCQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN5O3/c24-16-14-25-23(26-15-16)32-18-10-8-17(9-11-18)27-22(31)28-21(30)19-6-2-3-7-20(19)29-12-4-1-5-13-29/h2-3,6-11,14-15H,1,4-5,12-13H2,(H2,27,28,30,31).
What are the key properties of N-[[4-(5-chloropyrimidin-2-yl)oxyphenyl]carbamoyl]-2-piperidin-1-ylbenzamide?
N-[[4-(5-chloropyrimidin-2-yl)oxyphenyl]carbamoyl]-2-piperidin-1-ylbenzamide has a molecular weight of 451.91 g/mol, XLogP of 4.87, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(5-chloropyrimidin-2-yl)oxyphenyl]carbamoyl]-2-piperidin-1-ylbenzamide is sourced from PubChem (CID 24834316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).