2-(4-chlorophenyl)-N-[3-(2-methylpyrazol-3-yl)-4-(piperidin-4-ylmethoxy)phenyl]acetamide

C24H27ClN4O2 — CID 67191904

IUPAC2-(4-chlorophenyl)-N-[3-(2-methylpyrazol-3-yl)-4-(piperidin-4-ylmethoxy)phenyl]acetamide
SMILESCn1nccc1-c1cc(NC(=O)Cc2ccc(Cl)cc2)ccc1OCC1CCNCC1
InChIInChI=1S/C24H27ClN4O2/c1-29-22(10-13-27-29)21-15-20(28-24(30)14-17-2-4-19(25)5-3-17)6-7-23(21)31-16-18-8-11-26-12-9-18/h2-7,10,13,15,18,26H,8-9,11-12,14,16H2,1H3,(H,28,30)
InChIKeyNJAXKJHZZWTTNL-UHFFFAOYSA-N
MW438.96 g/mol
LogP4.30
Rot. Bonds7

About 2-(4-chlorophenyl)-N-[3-(2-methylpyrazol-3-yl)-4-(piperidin-4-ylmethoxy)phenyl]acetamide

2-(4-chlorophenyl)-N-[3-(2-methylpyrazol-3-yl)-4-(piperidin-4-ylmethoxy)phenyl]acetamide (PubChem CID 67191904) has the molecular formula C24H27ClN4O2 and a molecular weight of 438.96 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[3-(2-methylpyrazol-3-yl)-4-(piperidin-4-ylmethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[3-(2-methylpyrazol-3-yl)-4-(piperidin-4-ylmethoxy)phenyl]acetamide
PubChem CID67191904
Molecular FormulaC24H27ClN4O2
Molecular Weight438.96 g/mol
Exact Mass438.18
IUPAC Name2-(4-chlorophenyl)-N-[3-(2-methylpyrazol-3-yl)-4-(piperidin-4-ylmethoxy)phenyl]acetamide
SMILESCn1nccc1-c1cc(NC(=O)Cc2ccc(Cl)cc2)ccc1OCC1CCNCC1
InChIInChI=1S/C24H27ClN4O2/c1-29-22(10-13-27-29)21-15-20(28-24(30)14-17-2-4-19(25)5-3-17)6-7-23(21)31-16-18-8-11-26-12-9-18/h2-7,10,13,15,18,26H,8-9,11-12,14,16H2,1H3,(H,28,30)
InChIKeyNJAXKJHZZWTTNL-UHFFFAOYSA-N
XLogP4.30
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.96
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chlorophenyl)-N-[3-(2-methylpyrazol-3-yl)-4-piperidin-3-yloxyphenyl]acetamide
CID 66927967
tert-butyl N-[1-[2-[4-[[2-(4-chlorophenyl)acetyl]amino]-2-(2-methylpyrazol-3-yl)phenoxy]ethyl]piperidin-4-yl]carbamate
CID 66928617
tert-butyl 4-[[4-acetamido-2-(2-methylpyrazol-3-yl)phenoxy]methyl]piperidine-1-carboxylate
CID 66927954
1-(4-chlorophenyl)-3-[4-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]urea
CID 45486729
4-[[4-(2-methylpropoxycarbonylamino)-2-(2-methylpyrazol-3-yl)phenoxy]methyl]piperidine-1-carboxylic acid
CID 69150224
2-(4-chlorophenoxy)-N-[3-(2-methylpyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)phenyl]acetamide
CID 68850357
1-[4-[[(3R)-4-benzylmorpholin-3-yl]methoxy]-3-(2-methylpyrazol-3-yl)phenyl]-3-(4-chlorophenyl)urea
CID 66928507
1-(4-chlorophenyl)-N-[3-(2-methylpyrazol-3-yl)-4-(2-piperidin-1-ylethoxy)phenyl]cyclopropane-1-carboxamide
CID 66927818
1-[3-(2-methylpyrazol-3-yl)-4-(morpholin-2-ylmethoxy)phenyl]-3-phenylurea
CID 58964270
3-(4-bromo-1-methylpyrazol-5-yl)-N-(4-chlorophenyl)-4-[(1-methylpiperidin-4-yl)methoxy]aniline;3-(4-bromo-1-methylpyrazol-5-yl)-N-(4-chlorophenyl)-4-(piperidin-4-ylmethoxy)aniline
CID 162074403
N-[3-(2-methylpyrazol-3-yl)-4-piperidin-4-yloxyphenyl]-4-(trifluoromethyl)benzamide
CID 66928193
ethane;methyl 2-[4-[2-[4-[(4-chlorophenyl)carbamoylamino]-2-(2-methylpyrazol-3-yl)phenoxy]ethyl]piperazin-1-yl]acetate
CID 143232372

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[3-(2-methylpyrazol-3-yl)-4-(piperidin-4-ylmethoxy)phenyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[3-(2-methylpyrazol-3-yl)-4-(piperidin-4-ylmethoxy)phenyl]acetamide (CID 67191904) is 2-(4-chlorophenyl)-N-[3-(2-methylpyrazol-3-yl)-4-(piperidin-4-ylmethoxy)phenyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[3-(2-methylpyrazol-3-yl)-4-(piperidin-4-ylmethoxy)phenyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[3-(2-methylpyrazol-3-yl)-4-(piperidin-4-ylmethoxy)phenyl]acetamide is Cn1nccc1-c1cc(NC(=O)Cc2ccc(Cl)cc2)ccc1OCC1CCNCC1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[3-(2-methylpyrazol-3-yl)-4-(piperidin-4-ylmethoxy)phenyl]acetamide?
The InChIKey is NJAXKJHZZWTTNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN4O2/c1-29-22(10-13-27-29)21-15-20(28-24(30)14-17-2-4-19(25)5-3-17)6-7-23(21)31-16-18-8-11-26-12-9-18/h2-7,10,13,15,18,26H,8-9,11-12,14,16H2,1H3,(H,28,30).
What are the key properties of 2-(4-chlorophenyl)-N-[3-(2-methylpyrazol-3-yl)-4-(piperidin-4-ylmethoxy)phenyl]acetamide?
2-(4-chlorophenyl)-N-[3-(2-methylpyrazol-3-yl)-4-(piperidin-4-ylmethoxy)phenyl]acetamide has a molecular weight of 438.96 g/mol, XLogP of 4.30, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[3-(2-methylpyrazol-3-yl)-4-(piperidin-4-ylmethoxy)phenyl]acetamide is sourced from PubChem (CID 67191904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).