1-[2-[1-(2-methoxyacetyl)piperidin-4-yl]pyrazol-3-yl]-3-(2-methoxyphenyl)urea

C19H25N5O4 — CID 25453482

IUPAC1-[2-[1-(2-methoxyacetyl)piperidin-4-yl]pyrazol-3-yl]-3-(2-methoxyphenyl)urea
SMILESCOCC(=O)N1CCC(n2nccc2NC(=O)Nc2ccccc2OC)CC1
InChIInChI=1S/C19H25N5O4/c1-27-13-18(25)23-11-8-14(9-12-23)24-17(7-10-20-24)22-19(26)21-15-5-3-4-6-16(15)28-2/h3-7,10,14H,8-9,11-13H2,1-2H3,(H2,21,22,26)
InChIKeyUHJFJOXKTRBCPR-UHFFFAOYSA-N
MW387.44 g/mol
LogP2.35
Rot. Bonds6

About 1-[2-[1-(2-methoxyacetyl)piperidin-4-yl]pyrazol-3-yl]-3-(2-methoxyphenyl)urea

1-[2-[1-(2-methoxyacetyl)piperidin-4-yl]pyrazol-3-yl]-3-(2-methoxyphenyl)urea (PubChem CID 25453482) has the molecular formula C19H25N5O4 and a molecular weight of 387.44 g/mol. Its IUPAC name is 1-[2-[1-(2-methoxyacetyl)piperidin-4-yl]pyrazol-3-yl]-3-(2-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[2-[1-(2-methoxyacetyl)piperidin-4-yl]pyrazol-3-yl]-3-(2-methoxyphenyl)urea
PubChem CID25453482
Molecular FormulaC19H25N5O4
Molecular Weight387.44 g/mol
Exact Mass387.19
IUPAC Name1-[2-[1-(2-methoxyacetyl)piperidin-4-yl]pyrazol-3-yl]-3-(2-methoxyphenyl)urea
SMILESCOCC(=O)N1CCC(n2nccc2NC(=O)Nc2ccccc2OC)CC1
InChIInChI=1S/C19H25N5O4/c1-27-13-18(25)23-11-8-14(9-12-23)24-17(7-10-20-24)22-19(26)21-15-5-3-4-6-16(15)28-2/h3-7,10,14H,8-9,11-13H2,1-2H3,(H2,21,22,26)
InChIKeyUHJFJOXKTRBCPR-UHFFFAOYSA-N
XLogP2.35
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-[1-(2-aminoacetyl)piperidin-4-yl]pyrazol-3-yl]-3-(2-methoxyphenyl)urea
CID 56742934
1-(2-methoxyphenyl)-3-[2-[1-(2-piperidin-1-ylacetyl)piperidin-4-yl]pyrazol-3-yl]urea
CID 26336813
1-(2-methoxyphenyl)-3-[2-[1-(2-oxopropanoyl)piperidin-4-yl]pyrazol-3-yl]urea
CID 56756469
N-ethyl-4-[5-[(2-methoxyphenyl)carbamoylamino]pyrazol-1-yl]piperidine-1-carboxamide
CID 42513641
1-(2-methoxyphenyl)-3-[2-[1-(3-pyridin-4-ylpropanoyl)piperidin-4-yl]pyrazol-3-yl]urea
CID 25289876
1-(2-methoxyphenyl)-3-[2-[1-(pyridine-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]urea
CID 24819333
1-[2-[1-(3-methoxybenzoyl)piperidin-4-yl]pyrazol-3-yl]-3-(2-methoxyphenyl)urea
CID 26391328
1-[2-[1-(2,4-dimethylbenzoyl)piperidin-4-yl]pyrazol-3-yl]-3-(2-methoxyphenyl)urea
CID 26396065
1-(2-methoxyphenyl)-3-[2-[1-[(2S)-1-phenoxypropan-2-yl]piperidin-4-yl]pyrazol-3-yl]urea
CID 26336058
1-(2-methoxyphenyl)-3-[2-[1-(3-phenylbutyl)piperidin-4-yl]pyrazol-3-yl]urea
CID 45242231
1-(2-chlorophenyl)-3-[2-(1-propanoylpiperidin-4-yl)pyrazol-3-yl]urea
CID 56747961
N-[2-[1-(3-aminopropanoyl)piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide
CID 56745952

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(2-methoxyacetyl)piperidin-4-yl]pyrazol-3-yl]-3-(2-methoxyphenyl)urea?
The IUPAC name of 1-[2-[1-(2-methoxyacetyl)piperidin-4-yl]pyrazol-3-yl]-3-(2-methoxyphenyl)urea (CID 25453482) is 1-[2-[1-(2-methoxyacetyl)piperidin-4-yl]pyrazol-3-yl]-3-(2-methoxyphenyl)urea.
What is the SMILES notation for 1-[2-[1-(2-methoxyacetyl)piperidin-4-yl]pyrazol-3-yl]-3-(2-methoxyphenyl)urea?
The canonical SMILES for 1-[2-[1-(2-methoxyacetyl)piperidin-4-yl]pyrazol-3-yl]-3-(2-methoxyphenyl)urea is COCC(=O)N1CCC(n2nccc2NC(=O)Nc2ccccc2OC)CC1.
What is the InChIKey of 1-[2-[1-(2-methoxyacetyl)piperidin-4-yl]pyrazol-3-yl]-3-(2-methoxyphenyl)urea?
The InChIKey is UHJFJOXKTRBCPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O4/c1-27-13-18(25)23-11-8-14(9-12-23)24-17(7-10-20-24)22-19(26)21-15-5-3-4-6-16(15)28-2/h3-7,10,14H,8-9,11-13H2,1-2H3,(H2,21,22,26).
What are the key properties of 1-[2-[1-(2-methoxyacetyl)piperidin-4-yl]pyrazol-3-yl]-3-(2-methoxyphenyl)urea?
1-[2-[1-(2-methoxyacetyl)piperidin-4-yl]pyrazol-3-yl]-3-(2-methoxyphenyl)urea has a molecular weight of 387.44 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(2-methoxyacetyl)piperidin-4-yl]pyrazol-3-yl]-3-(2-methoxyphenyl)urea is sourced from PubChem (CID 25453482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).