2-(4-chlorophenoxy)-N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-4-yl]propanamide

C24H27ClN4O3 — CID 91904764

IUPAC2-(4-chlorophenoxy)-N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-4-yl]propanamide
SMILESCOc1ccc(-c2cc(N3CCC(NC(=O)C(C)Oc4ccc(Cl)cc4)CC3)n[nH]2)cc1
InChIInChI=1S/C24H27ClN4O3/c1-16(32-21-9-5-18(25)6-10-21)24(30)26-19-11-13-29(14-12-19)23-15-22(27-28-23)17-3-7-20(31-2)8-4-17/h3-10,15-16,19H,11-14H2,1-2H3,(H,26,30)(H,27,28)
InChIKeyYKWGSJYRXHBCOK-UHFFFAOYSA-N
MW454.96 g/mol
LogP4.29
Rot. Bonds7

About 2-(4-chlorophenoxy)-N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-4-yl]propanamide

2-(4-chlorophenoxy)-N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-4-yl]propanamide (PubChem CID 91904764) has the molecular formula C24H27ClN4O3 and a molecular weight of 454.96 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-4-yl]propanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-4-yl]propanamide
PubChem CID91904764
Molecular FormulaC24H27ClN4O3
Molecular Weight454.96 g/mol
Exact Mass454.18
IUPAC Name2-(4-chlorophenoxy)-N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-4-yl]propanamide
SMILESCOc1ccc(-c2cc(N3CCC(NC(=O)C(C)Oc4ccc(Cl)cc4)CC3)n[nH]2)cc1
InChIInChI=1S/C24H27ClN4O3/c1-16(32-21-9-5-18(25)6-10-21)24(30)26-19-11-13-29(14-12-19)23-15-22(27-28-23)17-3-7-20(31-2)8-4-17/h3-10,15-16,19H,11-14H2,1-2H3,(H,26,30)(H,27,28)
InChIKeyYKWGSJYRXHBCOK-UHFFFAOYSA-N
XLogP4.29
TPSA79.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.96
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-4-fluoro-N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-4-yl]benzamide
CID 75528340
2-fluoro-N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-4-yl]benzamide
CID 75528307
3-methoxy-N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-4-yl]benzamide
CID 75528323
4-methoxy-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide
CID 75528146
N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-4-yl]furan-3-carboxamide
CID 75528349
(2S)-N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-2-phenoxypropanamide
CID 100743768
(2R)-N-[1-(5-methyl-1H-pyrazol-3-yl)piperidin-4-yl]-2-phenoxypropanamide
CID 100743783
2-(4-chlorophenoxy)-N-[(3R)-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]acetamide
CID 99741177
N-[1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-3-methoxybenzamide
CID 91888027
5-bromo-N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-4-yl]furan-2-carboxamide
CID 75528314
2-(3,4-diethoxyphenyl)-N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-4-yl]acetamide
CID 75528321
3,4-difluoro-N-[(3R)-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]benzamide
CID 99741777

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-4-yl]propanamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-4-yl]propanamide (CID 91904764) is 2-(4-chlorophenoxy)-N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-4-yl]propanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-4-yl]propanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-4-yl]propanamide is COc1ccc(-c2cc(N3CCC(NC(=O)C(C)Oc4ccc(Cl)cc4)CC3)n[nH]2)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-4-yl]propanamide?
The InChIKey is YKWGSJYRXHBCOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN4O3/c1-16(32-21-9-5-18(25)6-10-21)24(30)26-19-11-13-29(14-12-19)23-15-22(27-28-23)17-3-7-20(31-2)8-4-17/h3-10,15-16,19H,11-14H2,1-2H3,(H,26,30)(H,27,28).
What are the key properties of 2-(4-chlorophenoxy)-N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-4-yl]propanamide?
2-(4-chlorophenoxy)-N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-4-yl]propanamide has a molecular weight of 454.96 g/mol, XLogP of 4.29, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-4-yl]propanamide is sourced from PubChem (CID 91904764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).