N-[4-(3-methoxyphenoxy)phenyl]-4-[4-(1H-pyrazol-4-yl)phenyl]piperidine-4-carboxamide

C28H28N4O3 — CID 15981193

IUPACN-[4-(3-methoxyphenoxy)phenyl]-4-[4-(1H-pyrazol-4-yl)phenyl]piperidine-4-carboxamide
SMILESCOc1cccc(Oc2ccc(NC(=O)C3(c4ccc(-c5cn[nH]c5)cc4)CCNCC3)cc2)c1
InChIInChI=1S/C28H28N4O3/c1-34-25-3-2-4-26(17-25)35-24-11-9-23(10-12-24)32-27(33)28(13-15-29-16-14-28)22-7-5-20(6-8-22)21-18-30-31-19-21/h2-12,17-19,29H,13-16H2,1H3,(H,30,31)(H,32,33)
InChIKeyYDOZPXCBRYVQKJ-UHFFFAOYSA-N
MW468.56 g/mol
LogP5.14
Rot. Bonds7

About N-[4-(3-methoxyphenoxy)phenyl]-4-[4-(1H-pyrazol-4-yl)phenyl]piperidine-4-carboxamide

N-[4-(3-methoxyphenoxy)phenyl]-4-[4-(1H-pyrazol-4-yl)phenyl]piperidine-4-carboxamide (PubChem CID 15981193) has the molecular formula C28H28N4O3 and a molecular weight of 468.56 g/mol. Its IUPAC name is N-[4-(3-methoxyphenoxy)phenyl]-4-[4-(1H-pyrazol-4-yl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(3-methoxyphenoxy)phenyl]-4-[4-(1H-pyrazol-4-yl)phenyl]piperidine-4-carboxamide
PubChem CID15981193
Molecular FormulaC28H28N4O3
Molecular Weight468.56 g/mol
Exact Mass468.22
IUPAC NameN-[4-(3-methoxyphenoxy)phenyl]-4-[4-(1H-pyrazol-4-yl)phenyl]piperidine-4-carboxamide
SMILESCOc1cccc(Oc2ccc(NC(=O)C3(c4ccc(-c5cn[nH]c5)cc4)CCNCC3)cc2)c1
InChIInChI=1S/C28H28N4O3/c1-34-25-3-2-4-26(17-25)35-24-11-9-23(10-12-24)32-27(33)28(13-15-29-16-14-28)22-7-5-20(6-8-22)21-18-30-31-19-21/h2-12,17-19,29H,13-16H2,1H3,(H,30,31)(H,32,33)
InChIKeyYDOZPXCBRYVQKJ-UHFFFAOYSA-N
XLogP5.14
TPSA88.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.56
LogP ≤ 55.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-piperidin-1-ylphenyl)-4-[4-(1H-pyrazol-4-yl)phenyl]piperidine-4-carboxamide
CID 143373876
2-(3-methoxyphenyl)-2-(methylamino)-N-[4-(1H-pyrazol-4-yl)phenyl]acetamide
CID 137425440
1-(5-methoxy-1H-indol-3-yl)-N-(4-phenoxyphenyl)cyclopropane-1-carboxamide
CID 113210870
4-(3-piperidin-1-ylphenoxy)-N-[4-[4-(1H-pyrazol-4-yl)phenyl]piperidin-4-yl]benzamide
CID 69181549
4-(methoxymethyl)-N-[4-(3-methylphenoxy)phenyl]piperidine-4-carboxamide;hydrochloride
CID 120617162
1-[(2,4-dimethoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]urea
CID 71654828
1-[2-(dimethylamino)ethyl]-1-[(3-methoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]urea
CID 68563058
(3R)-N-[4-(3-methoxyphenoxy)phenyl]pyrrolidine-3-carboxamide
CID 124687466
N-(3-methoxyphenyl)-1-phenylcyclopentane-1-carboxamide
CID 1455676
N-[3-(4-fluorophenoxy)phenyl]-4-methylpiperidine-4-carboxamide
CID 67036908
acetylene;4-[(E)-1-methylsulfanylprop-1-en-2-yl]-4-[4-(1H-pyrazol-4-yl)phenyl]piperidine
CID 143374003
1-(3-chlorophenyl)-N-(4-methoxyphenyl)cyclopropane-1-carboxamide
CID 110439114

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methoxyphenoxy)phenyl]-4-[4-(1H-pyrazol-4-yl)phenyl]piperidine-4-carboxamide?
The IUPAC name of N-[4-(3-methoxyphenoxy)phenyl]-4-[4-(1H-pyrazol-4-yl)phenyl]piperidine-4-carboxamide (CID 15981193) is N-[4-(3-methoxyphenoxy)phenyl]-4-[4-(1H-pyrazol-4-yl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[4-(3-methoxyphenoxy)phenyl]-4-[4-(1H-pyrazol-4-yl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for N-[4-(3-methoxyphenoxy)phenyl]-4-[4-(1H-pyrazol-4-yl)phenyl]piperidine-4-carboxamide is COc1cccc(Oc2ccc(NC(=O)C3(c4ccc(-c5cn[nH]c5)cc4)CCNCC3)cc2)c1.
What is the InChIKey of N-[4-(3-methoxyphenoxy)phenyl]-4-[4-(1H-pyrazol-4-yl)phenyl]piperidine-4-carboxamide?
The InChIKey is YDOZPXCBRYVQKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O3/c1-34-25-3-2-4-26(17-25)35-24-11-9-23(10-12-24)32-27(33)28(13-15-29-16-14-28)22-7-5-20(6-8-22)21-18-30-31-19-21/h2-12,17-19,29H,13-16H2,1H3,(H,30,31)(H,32,33).
What are the key properties of N-[4-(3-methoxyphenoxy)phenyl]-4-[4-(1H-pyrazol-4-yl)phenyl]piperidine-4-carboxamide?
N-[4-(3-methoxyphenoxy)phenyl]-4-[4-(1H-pyrazol-4-yl)phenyl]piperidine-4-carboxamide has a molecular weight of 468.56 g/mol, XLogP of 5.14, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methoxyphenoxy)phenyl]-4-[4-(1H-pyrazol-4-yl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 15981193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).