1-[1-(furan-2-carbonyl)piperidin-4-yl]-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea

C19H27N5O3 — CID 78860632

IUPAC1-[1-(furan-2-carbonyl)piperidin-4-yl]-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
SMILESCc1nn(C)c(C)c1CCNC(=O)NC1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C19H27N5O3/c1-13-16(14(2)23(3)22-13)6-9-20-19(26)21-15-7-10-24(11-8-15)18(25)17-5-4-12-27-17/h4-5,12,15H,6-11H2,1-3H3,(H2,20,21,26)
InChIKeyNOSLJYYGOOQLAA-UHFFFAOYSA-N
MW373.46 g/mol
LogP1.78
Rot. Bonds5

About 1-[1-(furan-2-carbonyl)piperidin-4-yl]-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea

1-[1-(furan-2-carbonyl)piperidin-4-yl]-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea (PubChem CID 78860632) has the molecular formula C19H27N5O3 and a molecular weight of 373.46 g/mol. Its IUPAC name is 1-[1-(furan-2-carbonyl)piperidin-4-yl]-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea.

Molecular Properties

Compound Name1-[1-(furan-2-carbonyl)piperidin-4-yl]-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
PubChem CID78860632
Molecular FormulaC19H27N5O3
Molecular Weight373.46 g/mol
Exact Mass373.21
IUPAC Name1-[1-(furan-2-carbonyl)piperidin-4-yl]-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
SMILESCc1nn(C)c(C)c1CCNC(=O)NC1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C19H27N5O3/c1-13-16(14(2)23(3)22-13)6-9-20-19(26)21-15-7-10-24(11-8-15)18(25)17-5-4-12-27-17/h4-5,12,15H,6-11H2,1-3H3,(H2,20,21,26)
InChIKeyNOSLJYYGOOQLAA-UHFFFAOYSA-N
XLogP1.78
TPSA92.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(furan-2-carbonyl)piperidin-4-yl]-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea?
The IUPAC name of 1-[1-(furan-2-carbonyl)piperidin-4-yl]-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea (CID 78860632) is 1-[1-(furan-2-carbonyl)piperidin-4-yl]-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea.
What is the SMILES notation for 1-[1-(furan-2-carbonyl)piperidin-4-yl]-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea?
The canonical SMILES for 1-[1-(furan-2-carbonyl)piperidin-4-yl]-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea is Cc1nn(C)c(C)c1CCNC(=O)NC1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of 1-[1-(furan-2-carbonyl)piperidin-4-yl]-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea?
The InChIKey is NOSLJYYGOOQLAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O3/c1-13-16(14(2)23(3)22-13)6-9-20-19(26)21-15-7-10-24(11-8-15)18(25)17-5-4-12-27-17/h4-5,12,15H,6-11H2,1-3H3,(H2,20,21,26).
What are the key properties of 1-[1-(furan-2-carbonyl)piperidin-4-yl]-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea?
1-[1-(furan-2-carbonyl)piperidin-4-yl]-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea has a molecular weight of 373.46 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(furan-2-carbonyl)piperidin-4-yl]-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea is sourced from PubChem (CID 78860632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).