4-methoxy-N-[1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-3-yl]benzamide

C21H23N5O2 — CID 53181016

IUPAC4-methoxy-N-[1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-3-yl]benzamide
SMILESCOc1ccc(C(=O)NC2CCCN(c3cc(-c4ccncc4)[nH]n3)C2)cc1
InChIInChI=1S/C21H23N5O2/c1-28-18-6-4-16(5-7-18)21(27)23-17-3-2-12-26(14-17)20-13-19(24-25-20)15-8-10-22-11-9-15/h4-11,13,17H,2-3,12,14H2,1H3,(H,23,27)(H,24,25)
InChIKeyCDWOAMQRXOLBEK-UHFFFAOYSA-N
MW377.45 g/mol
LogP2.88
Rot. Bonds5

About 4-methoxy-N-[1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-3-yl]benzamide

4-methoxy-N-[1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-3-yl]benzamide (PubChem CID 53181016) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is 4-methoxy-N-[1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-3-yl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-3-yl]benzamide
PubChem CID53181016
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name4-methoxy-N-[1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-3-yl]benzamide
SMILESCOc1ccc(C(=O)NC2CCCN(c3cc(-c4ccncc4)[nH]n3)C2)cc1
InChIInChI=1S/C21H23N5O2/c1-28-18-6-4-16(5-7-18)21(27)23-17-3-2-12-26(14-17)20-13-19(24-25-20)15-8-10-22-11-9-15/h4-11,13,17H,2-3,12,14H2,1H3,(H,23,27)(H,24,25)
InChIKeyCDWOAMQRXOLBEK-UHFFFAOYSA-N
XLogP2.88
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3S)-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]pyridine-4-carboxamide
CID 99741494
N-[1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-3-yl]pyridine-4-carboxamide
CID 53181017
N-[(3S)-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-3,5-dimethylbenzamide
CID 99741436
4-methoxy-N-[1-(5-phenyl-1H-pyrazol-3-yl)pyrrolidin-3-yl]benzamide
CID 91914563
4-bromo-N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]benzamide
CID 91888184
2,4-dimethoxy-N-[(3R)-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]benzamide
CID 99741411
4-ethoxy-N-[1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]benzamide
CID 91887879
N-[(3R)-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]isoquinoline-1-carboxamide
CID 99741183
2-fluoro-N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]benzamide
CID 91887918
3,4-difluoro-N-[(3R)-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]benzamide
CID 99741777
N-[(3R)-1-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-3,4-dimethoxybenzamide
CID 99741021
N-[(3R)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]-4-(trifluoromethoxy)benzamide
CID 99740855

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-3-yl]benzamide?
The IUPAC name of 4-methoxy-N-[1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-3-yl]benzamide (CID 53181016) is 4-methoxy-N-[1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-3-yl]benzamide.
What is the SMILES notation for 4-methoxy-N-[1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-3-yl]benzamide?
The canonical SMILES for 4-methoxy-N-[1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-3-yl]benzamide is COc1ccc(C(=O)NC2CCCN(c3cc(-c4ccncc4)[nH]n3)C2)cc1.
What is the InChIKey of 4-methoxy-N-[1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-3-yl]benzamide?
The InChIKey is CDWOAMQRXOLBEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-28-18-6-4-16(5-7-18)21(27)23-17-3-2-12-26(14-17)20-13-19(24-25-20)15-8-10-22-11-9-15/h4-11,13,17H,2-3,12,14H2,1H3,(H,23,27)(H,24,25).
What are the key properties of 4-methoxy-N-[1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-3-yl]benzamide?
4-methoxy-N-[1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-3-yl]benzamide has a molecular weight of 377.45 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-3-yl]benzamide is sourced from PubChem (CID 53181016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).