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

C26H31N5O — CID 143373876

IUPACN-(3-piperidin-1-ylphenyl)-4-[4-(1H-pyrazol-4-yl)phenyl]piperidine-4-carboxamide
SMILESO=C(Nc1cccc(N2CCCCC2)c1)C1(c2ccc(-c3cn[nH]c3)cc2)CCNCC1
InChIInChI=1S/C26H31N5O/c32-25(30-23-5-4-6-24(17-23)31-15-2-1-3-16-31)26(11-13-27-14-12-26)22-9-7-20(8-10-22)21-18-28-29-19-21/h4-10,17-19,27H,1-3,11-16H2,(H,28,29)(H,30,32)
InChIKeyCFLRKAMUWJZVCD-UHFFFAOYSA-N
MW429.57 g/mol
LogP4.33
Rot. Bonds5

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

N-(3-piperidin-1-ylphenyl)-4-[4-(1H-pyrazol-4-yl)phenyl]piperidine-4-carboxamide (PubChem CID 143373876) has the molecular formula C26H31N5O and a molecular weight of 429.57 g/mol. Its IUPAC name is N-(3-piperidin-1-ylphenyl)-4-[4-(1H-pyrazol-4-yl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-piperidin-1-ylphenyl)-4-[4-(1H-pyrazol-4-yl)phenyl]piperidine-4-carboxamide
PubChem CID143373876
Molecular FormulaC26H31N5O
Molecular Weight429.57 g/mol
Exact Mass429.25
IUPAC NameN-(3-piperidin-1-ylphenyl)-4-[4-(1H-pyrazol-4-yl)phenyl]piperidine-4-carboxamide
SMILESO=C(Nc1cccc(N2CCCCC2)c1)C1(c2ccc(-c3cn[nH]c3)cc2)CCNCC1
InChIInChI=1S/C26H31N5O/c32-25(30-23-5-4-6-24(17-23)31-15-2-1-3-16-31)26(11-13-27-14-12-26)22-9-7-20(8-10-22)21-18-28-29-19-21/h4-10,17-19,27H,1-3,11-16H2,(H,28,29)(H,30,32)
InChIKeyCFLRKAMUWJZVCD-UHFFFAOYSA-N
XLogP4.33
TPSA73.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.57
LogP ≤ 54.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-piperidin-1-ylphenoxy)-N-[4-[4-(1H-pyrazol-4-yl)phenyl]piperidin-4-yl]benzamide
CID 69181549
N-[4-(3-methoxyphenoxy)phenyl]-4-[4-(1H-pyrazol-4-yl)phenyl]piperidine-4-carboxamide
CID 15981193
4-methyl-N-(3-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide
CID 63122188
4-pyrazol-1-yl-N-(3-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide
CID 120939642
6-(3-piperidin-1-ylphenoxy)-2-[4-[4-(1H-pyrazol-4-yl)phenyl]piperidin-4-yl]-1H-indole
CID 15981296
1-(4-fluorophenyl)-N-(3-morpholin-4-ylphenyl)cyclopentane-1-carboxamide
CID 55979337
N-(3-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide
CID 60928576
1-amino-N-(3-pyrrolidin-1-ylphenyl)cyclopentane-1-carboxamide;dihydrochloride
CID 119857471
N-[3-[4-[6-(1H-pyrazol-4-yl)quinazolin-4-yl]piperazin-1-yl]phenyl]benzamide
CID 22032058
4-(methoxymethyl)-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)propan-2-yl]piperidine-4-carboxamide;dihydrochloride
CID 120645940
4-methoxy-N-[4-oxo-4-(3-pyrrolidin-1-ylanilino)butan-2-yl]piperidine-4-carboxamide
CID 119872921
methyl N-(3-piperidin-1-ylphenyl)carbamate
CID 110362130

Frequently Asked Questions

What is the IUPAC name of N-(3-piperidin-1-ylphenyl)-4-[4-(1H-pyrazol-4-yl)phenyl]piperidine-4-carboxamide?
The IUPAC name of N-(3-piperidin-1-ylphenyl)-4-[4-(1H-pyrazol-4-yl)phenyl]piperidine-4-carboxamide (CID 143373876) is N-(3-piperidin-1-ylphenyl)-4-[4-(1H-pyrazol-4-yl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(3-piperidin-1-ylphenyl)-4-[4-(1H-pyrazol-4-yl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for N-(3-piperidin-1-ylphenyl)-4-[4-(1H-pyrazol-4-yl)phenyl]piperidine-4-carboxamide is O=C(Nc1cccc(N2CCCCC2)c1)C1(c2ccc(-c3cn[nH]c3)cc2)CCNCC1.
What is the InChIKey of N-(3-piperidin-1-ylphenyl)-4-[4-(1H-pyrazol-4-yl)phenyl]piperidine-4-carboxamide?
The InChIKey is CFLRKAMUWJZVCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O/c32-25(30-23-5-4-6-24(17-23)31-15-2-1-3-16-31)26(11-13-27-14-12-26)22-9-7-20(8-10-22)21-18-28-29-19-21/h4-10,17-19,27H,1-3,11-16H2,(H,28,29)(H,30,32).
What are the key properties of N-(3-piperidin-1-ylphenyl)-4-[4-(1H-pyrazol-4-yl)phenyl]piperidine-4-carboxamide?
N-(3-piperidin-1-ylphenyl)-4-[4-(1H-pyrazol-4-yl)phenyl]piperidine-4-carboxamide has a molecular weight of 429.57 g/mol, XLogP of 4.33, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-piperidin-1-ylphenyl)-4-[4-(1H-pyrazol-4-yl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 143373876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).