1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-3-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]urea

C26H29N5O5 — CID 167785307

IUPAC1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-3-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]urea
SMILESCOc1ccc(C(=O)N2CCC(NC(=O)Nc3cccc(-c4noc(C5CC5)n4)c3)CC2)cc1OC
InChIInChI=1S/C26H29N5O5/c1-34-21-9-8-18(15-22(21)35-2)25(32)31-12-10-19(11-13-31)27-26(33)28-20-5-3-4-17(14-20)23-29-24(36-30-23)16-6-7-16/h3-5,8-9,14-16,19H,6-7,10-13H2,1-2H3,(H2,27,28,33)
InChIKeyCJMGBCRUGRBHCG-UHFFFAOYSA-N
MW491.55 g/mol
LogP4.06
Rot. Bonds7

About 1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-3-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]urea

1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-3-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]urea (PubChem CID 167785307) has the molecular formula C26H29N5O5 and a molecular weight of 491.55 g/mol. Its IUPAC name is 1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-3-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]urea.

Molecular Properties

Compound Name1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-3-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]urea
PubChem CID167785307
Molecular FormulaC26H29N5O5
Molecular Weight491.55 g/mol
Exact Mass491.22
IUPAC Name1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-3-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]urea
SMILESCOc1ccc(C(=O)N2CCC(NC(=O)Nc3cccc(-c4noc(C5CC5)n4)c3)CC2)cc1OC
InChIInChI=1S/C26H29N5O5/c1-34-21-9-8-18(15-22(21)35-2)25(32)31-12-10-19(11-13-31)27-26(33)28-20-5-3-4-17(14-20)23-29-24(36-30-23)16-6-7-16/h3-5,8-9,14-16,19H,6-7,10-13H2,1-2H3,(H2,27,28,33)
InChIKeyCJMGBCRUGRBHCG-UHFFFAOYSA-N
XLogP4.06
TPSA118.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.55
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-3-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]urea?
The IUPAC name of 1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-3-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]urea (CID 167785307) is 1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-3-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]urea.
What is the SMILES notation for 1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-3-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]urea?
The canonical SMILES for 1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-3-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]urea is COc1ccc(C(=O)N2CCC(NC(=O)Nc3cccc(-c4noc(C5CC5)n4)c3)CC2)cc1OC.
What is the InChIKey of 1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-3-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]urea?
The InChIKey is CJMGBCRUGRBHCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O5/c1-34-21-9-8-18(15-22(21)35-2)25(32)31-12-10-19(11-13-31)27-26(33)28-20-5-3-4-17(14-20)23-29-24(36-30-23)16-6-7-16/h3-5,8-9,14-16,19H,6-7,10-13H2,1-2H3,(H2,27,28,33).
What are the key properties of 1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-3-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]urea?
1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-3-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]urea has a molecular weight of 491.55 g/mol, XLogP of 4.06, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-3-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]urea is sourced from PubChem (CID 167785307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).