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

C23H25ClN4O2 — CID 66927967

IUPAC2-(4-chlorophenyl)-N-[3-(2-methylpyrazol-3-yl)-4-piperidin-3-yloxyphenyl]acetamide
SMILESCn1nccc1-c1cc(NC(=O)Cc2ccc(Cl)cc2)ccc1OC1CCCNC1
InChIInChI=1S/C23H25ClN4O2/c1-28-21(10-12-26-28)20-14-18(8-9-22(20)30-19-3-2-11-25-15-19)27-23(29)13-16-4-6-17(24)7-5-16/h4-10,12,14,19,25H,2-3,11,13,15H2,1H3,(H,27,29)
InChIKeyFQZLSAZDUWMFPE-UHFFFAOYSA-N
MW424.93 g/mol
LogP4.05
Rot. Bonds6

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

2-(4-chlorophenyl)-N-[3-(2-methylpyrazol-3-yl)-4-piperidin-3-yloxyphenyl]acetamide (PubChem CID 66927967) has the molecular formula C23H25ClN4O2 and a molecular weight of 424.93 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[3-(2-methylpyrazol-3-yl)-4-piperidin-3-yloxyphenyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[3-(2-methylpyrazol-3-yl)-4-piperidin-3-yloxyphenyl]acetamide
PubChem CID66927967
Molecular FormulaC23H25ClN4O2
Molecular Weight424.93 g/mol
Exact Mass424.17
IUPAC Name2-(4-chlorophenyl)-N-[3-(2-methylpyrazol-3-yl)-4-piperidin-3-yloxyphenyl]acetamide
SMILESCn1nccc1-c1cc(NC(=O)Cc2ccc(Cl)cc2)ccc1OC1CCCNC1
InChIInChI=1S/C23H25ClN4O2/c1-28-21(10-12-26-28)20-14-18(8-9-22(20)30-19-3-2-11-25-15-19)27-23(29)13-16-4-6-17(24)7-5-16/h4-10,12,14,19,25H,2-3,11,13,15H2,1H3,(H,27,29)
InChIKeyFQZLSAZDUWMFPE-UHFFFAOYSA-N
XLogP4.05
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.93
LogP ≤ 54.05
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-4-ylmethoxy)phenyl]acetamide
CID 67191904
1-(2,4-difluorophenyl)-3-[3-(2-methylpyrazol-3-yl)-4-[(3S)-pyrrolidin-3-yl]oxyphenyl]urea
CID 67189201
N-[3-(4-bromo-1-methylpyrazol-5-yl)-4-piperidin-3-yloxyphenyl]-4-chlorobenzamide
CID 66927930
(2R,4R)-4-[4-[(4-chlorophenyl)carbamoylamino]-2-(2-methylpyrazol-3-yl)phenoxy]pyrrolidine-1,2-dicarboxylic acid
CID 90760892
tert-butyl N-[1-[2-[4-[[2-(4-chlorophenyl)acetyl]amino]-2-(2-methylpyrazol-3-yl)phenoxy]ethyl]piperidin-4-yl]carbamate
CID 66928617
1-(4-chlorophenyl)-3-[4-[2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]urea
CID 45486729
N-[3-(2-methylpyrazol-3-yl)-4-piperidin-4-yloxyphenyl]-4-(trifluoromethyl)benzamide
CID 66928193
2-(4-chlorophenyl)-N-[3-[1-(2-methylpyrazol-3-yl)piperidin-3-yl]oxyphenyl]acetamide
CID 69492041
1-(4-chlorophenyl)-3-[4-[2-(1H-imidazol-2-yl)ethoxy]-3-(2-methylpyrazol-3-yl)phenyl]urea
CID 69369107
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
5-chloro-2-[(3S)-piperidin-3-yl]oxybenzamide
CID 66246605

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[3-(2-methylpyrazol-3-yl)-4-piperidin-3-yloxyphenyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[3-(2-methylpyrazol-3-yl)-4-piperidin-3-yloxyphenyl]acetamide (CID 66927967) is 2-(4-chlorophenyl)-N-[3-(2-methylpyrazol-3-yl)-4-piperidin-3-yloxyphenyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[3-(2-methylpyrazol-3-yl)-4-piperidin-3-yloxyphenyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[3-(2-methylpyrazol-3-yl)-4-piperidin-3-yloxyphenyl]acetamide is Cn1nccc1-c1cc(NC(=O)Cc2ccc(Cl)cc2)ccc1OC1CCCNC1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[3-(2-methylpyrazol-3-yl)-4-piperidin-3-yloxyphenyl]acetamide?
The InChIKey is FQZLSAZDUWMFPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O2/c1-28-21(10-12-26-28)20-14-18(8-9-22(20)30-19-3-2-11-25-15-19)27-23(29)13-16-4-6-17(24)7-5-16/h4-10,12,14,19,25H,2-3,11,13,15H2,1H3,(H,27,29).
What are the key properties of 2-(4-chlorophenyl)-N-[3-(2-methylpyrazol-3-yl)-4-piperidin-3-yloxyphenyl]acetamide?
2-(4-chlorophenyl)-N-[3-(2-methylpyrazol-3-yl)-4-piperidin-3-yloxyphenyl]acetamide has a molecular weight of 424.93 g/mol, XLogP of 4.05, 6 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-3-yloxyphenyl]acetamide is sourced from PubChem (CID 66927967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).