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

C24H27N5O4 — CID 26391328

IUPAC1-[2-[1-(3-methoxybenzoyl)piperidin-4-yl]pyrazol-3-yl]-3-(2-methoxyphenyl)urea
SMILESCOc1cccc(C(=O)N2CCC(n3nccc3NC(=O)Nc3ccccc3OC)CC2)c1
InChIInChI=1S/C24H27N5O4/c1-32-19-7-5-6-17(16-19)23(30)28-14-11-18(12-15-28)29-22(10-13-25-29)27-24(31)26-20-8-3-4-9-21(20)33-2/h3-10,13,16,18H,11-12,14-15H2,1-2H3,(H2,26,27,31)
InChIKeyIXRLBROSMBQPKF-UHFFFAOYSA-N
MW449.51 g/mol
LogP4.02
Rot. Bonds6

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

1-[2-[1-(3-methoxybenzoyl)piperidin-4-yl]pyrazol-3-yl]-3-(2-methoxyphenyl)urea (PubChem CID 26391328) has the molecular formula C24H27N5O4 and a molecular weight of 449.51 g/mol. Its IUPAC name is 1-[2-[1-(3-methoxybenzoyl)piperidin-4-yl]pyrazol-3-yl]-3-(2-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[2-[1-(3-methoxybenzoyl)piperidin-4-yl]pyrazol-3-yl]-3-(2-methoxyphenyl)urea
PubChem CID26391328
Molecular FormulaC24H27N5O4
Molecular Weight449.51 g/mol
Exact Mass449.21
IUPAC Name1-[2-[1-(3-methoxybenzoyl)piperidin-4-yl]pyrazol-3-yl]-3-(2-methoxyphenyl)urea
SMILESCOc1cccc(C(=O)N2CCC(n3nccc3NC(=O)Nc3ccccc3OC)CC2)c1
InChIInChI=1S/C24H27N5O4/c1-32-19-7-5-6-17(16-19)23(30)28-14-11-18(12-15-28)29-22(10-13-25-29)27-24(31)26-20-8-3-4-9-21(20)33-2/h3-10,13,16,18H,11-12,14-15H2,1-2H3,(H2,26,27,31)
InChIKeyIXRLBROSMBQPKF-UHFFFAOYSA-N
XLogP4.02
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.51
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-methoxyphenyl)-3-[2-[1-(pyridine-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]urea
CID 24819333
1-(2-methoxyphenyl)-3-[2-[1-(2-oxopropanoyl)piperidin-4-yl]pyrazol-3-yl]urea
CID 56756469
1-[2-[1-(2,4-dimethylbenzoyl)piperidin-4-yl]pyrazol-3-yl]-3-(2-methoxyphenyl)urea
CID 26396065
1-[2-[1-(2-aminoacetyl)piperidin-4-yl]pyrazol-3-yl]-3-(2-methoxyphenyl)urea
CID 56742934
1-[2-[1-(2-methoxyacetyl)piperidin-4-yl]pyrazol-3-yl]-3-(2-methoxyphenyl)urea
CID 25453482
N-ethyl-4-[5-[(2-methoxyphenyl)carbamoylamino]pyrazol-1-yl]piperidine-1-carboxamide
CID 42513641
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-[(2S)-1-phenoxypropan-2-yl]piperidin-4-yl]pyrazol-3-yl]urea
CID 26336058
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-(3-phenylbutyl)piperidin-4-yl]pyrazol-3-yl]urea
CID 45242231
N-(2-ethoxyphenyl)-1-(3-methoxybenzoyl)piperidine-4-carboxamide
CID 113007539
1-(3-methoxybenzoyl)-N-(2-propan-2-yloxyphenyl)piperidine-4-carboxamide
CID 113007631

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(3-methoxybenzoyl)piperidin-4-yl]pyrazol-3-yl]-3-(2-methoxyphenyl)urea?
The IUPAC name of 1-[2-[1-(3-methoxybenzoyl)piperidin-4-yl]pyrazol-3-yl]-3-(2-methoxyphenyl)urea (CID 26391328) is 1-[2-[1-(3-methoxybenzoyl)piperidin-4-yl]pyrazol-3-yl]-3-(2-methoxyphenyl)urea.
What is the SMILES notation for 1-[2-[1-(3-methoxybenzoyl)piperidin-4-yl]pyrazol-3-yl]-3-(2-methoxyphenyl)urea?
The canonical SMILES for 1-[2-[1-(3-methoxybenzoyl)piperidin-4-yl]pyrazol-3-yl]-3-(2-methoxyphenyl)urea is COc1cccc(C(=O)N2CCC(n3nccc3NC(=O)Nc3ccccc3OC)CC2)c1.
What is the InChIKey of 1-[2-[1-(3-methoxybenzoyl)piperidin-4-yl]pyrazol-3-yl]-3-(2-methoxyphenyl)urea?
The InChIKey is IXRLBROSMBQPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O4/c1-32-19-7-5-6-17(16-19)23(30)28-14-11-18(12-15-28)29-22(10-13-25-29)27-24(31)26-20-8-3-4-9-21(20)33-2/h3-10,13,16,18H,11-12,14-15H2,1-2H3,(H2,26,27,31).
What are the key properties of 1-[2-[1-(3-methoxybenzoyl)piperidin-4-yl]pyrazol-3-yl]-3-(2-methoxyphenyl)urea?
1-[2-[1-(3-methoxybenzoyl)piperidin-4-yl]pyrazol-3-yl]-3-(2-methoxyphenyl)urea has a molecular weight of 449.51 g/mol, XLogP of 4.02, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(3-methoxybenzoyl)piperidin-4-yl]pyrazol-3-yl]-3-(2-methoxyphenyl)urea is sourced from PubChem (CID 26391328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).