1-[(1-methylpyrazol-4-yl)methyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide

C22H25N5O2 — CID 24794292

IUPAC1-[(1-methylpyrazol-4-yl)methyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide
SMILESCn1cc(CN2CCCC(C(=O)Nc3ccccc3Oc3cccnc3)C2)cn1
InChIInChI=1S/C22H25N5O2/c1-26-14-17(12-24-26)15-27-11-5-6-18(16-27)22(28)25-20-8-2-3-9-21(20)29-19-7-4-10-23-13-19/h2-4,7-10,12-14,18H,5-6,11,15-16H2,1H3,(H,25,28)
InChIKeySLIWKCDBIXQTQH-UHFFFAOYSA-N
MW391.48 g/mol
LogP3.46
Rot. Bonds6

About 1-[(1-methylpyrazol-4-yl)methyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide

1-[(1-methylpyrazol-4-yl)methyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide (PubChem CID 24794292) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is 1-[(1-methylpyrazol-4-yl)methyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(1-methylpyrazol-4-yl)methyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide
PubChem CID24794292
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name1-[(1-methylpyrazol-4-yl)methyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide
SMILESCn1cc(CN2CCCC(C(=O)Nc3ccccc3Oc3cccnc3)C2)cn1
InChIInChI=1S/C22H25N5O2/c1-26-14-17(12-24-26)15-27-11-5-6-18(16-27)22(28)25-20-8-2-3-9-21(20)29-19-7-4-10-23-13-19/h2-4,7-10,12-14,18H,5-6,11,15-16H2,1H3,(H,25,28)
InChIKeySLIWKCDBIXQTQH-UHFFFAOYSA-N
XLogP3.46
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-Methyl-4-[4-(4-{3-[(Piperidin-4-Yl)methoxy]pyridin-4-Yl}-1h-Pyrazol-1-Yl)phenyl]piperazine
CID 119058124
1-Methyl-4-(4-{4-[3-(2-Methylpropoxy)pyridin-4-Yl]-1h-Pyrazol-1-Yl}phenyl)piperazine
CID 119058125
4-[1-(2-Fluorophenyl)-1h-Pyrazol-4-Yl]-3-[(Piperidin-4-Yl)methoxy]pyridine
CID 119058126
N-(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)H-pyrazolo[1,5-a]pyridine-3-carboxamide
CID 11057969
4-[3-Fluoro-4-[4-[3-(piperidin-4-ylmethoxy)-4-pyridinyl]pyrazol-1-yl]phenyl]morpholine
CID 127052233
N-(3-cyanopyrazolo[1,5-a]pyridin-5-yl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]butanamide
CID 137640391
N-[3-[(Z)-hydroxyiminomethyl]pyrazolo[1,5-a]pyridin-5-yl]-4-[4-(2-methoxyphenyl)piperazin-1-yl]butanamide
CID 137655735
N-[3-[(5-carbamoyl-3-pyridinyl)oxymethyl]phenyl]pyridazine-4-carboxamide
CID 124155944
5-[[3-[(4-Pyrazol-1-ylbenzoyl)amino]phenyl]methoxy]pyridine-3-carboxamide
CID 124162056
N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)H-pyrazolo[1,5-a]pyridine-6-carboxamide
CID 10862425
N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)H-pyrazolo[1,5-a]pyridine-3-carboxamide
CID 10884046
N-(3-(4-(2-methoxyphenyl)piperazin-1-yl)propyl)H-pyrazolo[1,5-a]pyridine-3-carboxamide
CID 11036641

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylpyrazol-4-yl)methyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide?
The IUPAC name of 1-[(1-methylpyrazol-4-yl)methyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide (CID 24794292) is 1-[(1-methylpyrazol-4-yl)methyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[(1-methylpyrazol-4-yl)methyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[(1-methylpyrazol-4-yl)methyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide is Cn1cc(CN2CCCC(C(=O)Nc3ccccc3Oc3cccnc3)C2)cn1.
What is the InChIKey of 1-[(1-methylpyrazol-4-yl)methyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide?
The InChIKey is SLIWKCDBIXQTQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-26-14-17(12-24-26)15-27-11-5-6-18(16-27)22(28)25-20-8-2-3-9-21(20)29-19-7-4-10-23-13-19/h2-4,7-10,12-14,18H,5-6,11,15-16H2,1H3,(H,25,28).
What are the key properties of 1-[(1-methylpyrazol-4-yl)methyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide?
1-[(1-methylpyrazol-4-yl)methyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide has a molecular weight of 391.48 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylpyrazol-4-yl)methyl]-N-(2-pyridin-3-yloxyphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 24794292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).