1-[1-(4-morpholin-4-ylbutanoyl)piperidin-4-yl]-3-phenylurea

C20H30N4O3 — CID 59803138

IUPAC1-[1-(4-morpholin-4-ylbutanoyl)piperidin-4-yl]-3-phenylurea
SMILESO=C(Nc1ccccc1)NC1CCN(C(=O)CCCN2CCOCC2)CC1
InChIInChI=1S/C20H30N4O3/c25-19(7-4-10-23-13-15-27-16-14-23)24-11-8-18(9-12-24)22-20(26)21-17-5-2-1-3-6-17/h1-3,5-6,18H,4,7-16H2,(H2,21,22,26)
InChIKeyKKYONZOUDFXHAR-UHFFFAOYSA-N
MW374.49 g/mol
LogP1.91
Rot. Bonds6

About 1-[1-(4-morpholin-4-ylbutanoyl)piperidin-4-yl]-3-phenylurea

1-[1-(4-morpholin-4-ylbutanoyl)piperidin-4-yl]-3-phenylurea (PubChem CID 59803138) has the molecular formula C20H30N4O3 and a molecular weight of 374.49 g/mol. Its IUPAC name is 1-[1-(4-morpholin-4-ylbutanoyl)piperidin-4-yl]-3-phenylurea.

Molecular Properties

Compound Name1-[1-(4-morpholin-4-ylbutanoyl)piperidin-4-yl]-3-phenylurea
PubChem CID59803138
Molecular FormulaC20H30N4O3
Molecular Weight374.49 g/mol
Exact Mass374.23
IUPAC Name1-[1-(4-morpholin-4-ylbutanoyl)piperidin-4-yl]-3-phenylurea
SMILESO=C(Nc1ccccc1)NC1CCN(C(=O)CCCN2CCOCC2)CC1
InChIInChI=1S/C20H30N4O3/c25-19(7-4-10-23-13-15-27-16-14-23)24-11-8-18(9-12-24)22-20(26)21-17-5-2-1-3-6-17/h1-3,5-6,18H,4,7-16H2,(H2,21,22,26)
InChIKeyKKYONZOUDFXHAR-UHFFFAOYSA-N
XLogP1.91
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-morpholin-4-ylbutanoyl)piperidin-4-yl]-3-phenylurea?
The IUPAC name of 1-[1-(4-morpholin-4-ylbutanoyl)piperidin-4-yl]-3-phenylurea (CID 59803138) is 1-[1-(4-morpholin-4-ylbutanoyl)piperidin-4-yl]-3-phenylurea.
What is the SMILES notation for 1-[1-(4-morpholin-4-ylbutanoyl)piperidin-4-yl]-3-phenylurea?
The canonical SMILES for 1-[1-(4-morpholin-4-ylbutanoyl)piperidin-4-yl]-3-phenylurea is O=C(Nc1ccccc1)NC1CCN(C(=O)CCCN2CCOCC2)CC1.
What is the InChIKey of 1-[1-(4-morpholin-4-ylbutanoyl)piperidin-4-yl]-3-phenylurea?
The InChIKey is KKYONZOUDFXHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O3/c25-19(7-4-10-23-13-15-27-16-14-23)24-11-8-18(9-12-24)22-20(26)21-17-5-2-1-3-6-17/h1-3,5-6,18H,4,7-16H2,(H2,21,22,26).
What are the key properties of 1-[1-(4-morpholin-4-ylbutanoyl)piperidin-4-yl]-3-phenylurea?
1-[1-(4-morpholin-4-ylbutanoyl)piperidin-4-yl]-3-phenylurea has a molecular weight of 374.49 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-morpholin-4-ylbutanoyl)piperidin-4-yl]-3-phenylurea is sourced from PubChem (CID 59803138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).