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

C23H25ClN4O3 — CID 99741177

IUPAC2-(4-chlorophenoxy)-N-[(3R)-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]acetamide
SMILESCOc1ccc(-c2cc(N3CCC[C@@H](NC(=O)COc4ccc(Cl)cc4)C3)n[nH]2)cc1
InChIInChI=1S/C23H25ClN4O3/c1-30-19-8-4-16(5-9-19)21-13-22(27-26-21)28-12-2-3-18(14-28)25-23(29)15-31-20-10-6-17(24)7-11-20/h4-11,13,18H,2-3,12,14-15H2,1H3,(H,25,29)(H,26,27)/t18-/m1/s1
InChIKeyBFPQBTXQSRLIOD-GOSISDBHSA-N
MW440.93 g/mol
LogP3.90
Rot. Bonds7

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

2-(4-chlorophenoxy)-N-[(3R)-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]acetamide (PubChem CID 99741177) has the molecular formula C23H25ClN4O3 and a molecular weight of 440.93 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[(3R)-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[(3R)-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]acetamide
PubChem CID99741177
Molecular FormulaC23H25ClN4O3
Molecular Weight440.93 g/mol
Exact Mass440.16
IUPAC Name2-(4-chlorophenoxy)-N-[(3R)-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]acetamide
SMILESCOc1ccc(-c2cc(N3CCC[C@@H](NC(=O)COc4ccc(Cl)cc4)C3)n[nH]2)cc1
InChIInChI=1S/C23H25ClN4O3/c1-30-19-8-4-16(5-9-19)21-13-22(27-26-21)28-12-2-3-18(14-28)25-23(29)15-31-20-10-6-17(24)7-11-20/h4-11,13,18H,2-3,12,14-15H2,1H3,(H,25,29)(H,26,27)/t18-/m1/s1
InChIKeyBFPQBTXQSRLIOD-GOSISDBHSA-N
XLogP3.90
TPSA79.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.93
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3R)-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-4-phenylbutanamide
CID 99756654
N-[(3S)-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-3,5-dimethylbenzamide
CID 99741436
2-fluoro-N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]benzamide
CID 91887918
2,4-dimethoxy-N-[(3R)-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]benzamide
CID 99741411
2-(3-methylphenoxy)-N-[(3R)-1-(5-phenyl-1H-pyrazol-3-yl)piperidin-3-yl]acetamide
CID 99740798
N-[(3R)-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]isoquinoline-1-carboxamide
CID 99741183
4-methoxy-N-[1-(5-pyridin-4-yl-1H-pyrazol-3-yl)piperidin-3-yl]benzamide
CID 53181016
N-[(3R)-1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-4-phenylbutanamide
CID 99740951
N-[1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-4-yl]-2-(3-methylphenoxy)acetamide
CID 91904760
N-[1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]pyrrolidin-3-yl]-3-methoxybenzamide
CID 91888027
1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidine-3-carboxylic acid
CID 56771463
N-[(3R)-1-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]piperidin-3-yl]-2-(1H-indol-3-yl)acetamide
CID 99740879

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[(3R)-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]acetamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[(3R)-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]acetamide (CID 99741177) is 2-(4-chlorophenoxy)-N-[(3R)-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]acetamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[(3R)-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]acetamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[(3R)-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]acetamide is COc1ccc(-c2cc(N3CCC[C@@H](NC(=O)COc4ccc(Cl)cc4)C3)n[nH]2)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[(3R)-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]acetamide?
The InChIKey is BFPQBTXQSRLIOD-GOSISDBHSA-N. The full InChI is InChI=1S/C23H25ClN4O3/c1-30-19-8-4-16(5-9-19)21-13-22(27-26-21)28-12-2-3-18(14-28)25-23(29)15-31-20-10-6-17(24)7-11-20/h4-11,13,18H,2-3,12,14-15H2,1H3,(H,25,29)(H,26,27)/t18-/m1/s1.
What are the key properties of 2-(4-chlorophenoxy)-N-[(3R)-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]acetamide?
2-(4-chlorophenoxy)-N-[(3R)-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]acetamide has a molecular weight of 440.93 g/mol, XLogP of 3.90, 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-[(3R)-1-[5-(4-methoxyphenyl)-1H-pyrazol-3-yl]piperidin-3-yl]acetamide is sourced from PubChem (CID 99741177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).