1-cyclopropyl-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]urea

C15H20N4O4 — CID 112994619

IUPAC1-cyclopropyl-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]urea
SMILESO=C(NCC(=O)N1CCN(C(=O)c2ccco2)CC1)NC1CC1
InChIInChI=1S/C15H20N4O4/c20-13(10-16-15(22)17-11-3-4-11)18-5-7-19(8-6-18)14(21)12-2-1-9-23-12/h1-2,9,11H,3-8,10H2,(H2,16,17,22)
InChIKeyKCTJHXIKIZDQJP-UHFFFAOYSA-N
MW320.35 g/mol
LogP0.03
Rot. Bonds4

About 1-cyclopropyl-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]urea

1-cyclopropyl-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]urea (PubChem CID 112994619) has the molecular formula C15H20N4O4 and a molecular weight of 320.35 g/mol. Its IUPAC name is 1-cyclopropyl-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]urea
PubChem CID112994619
Molecular FormulaC15H20N4O4
Molecular Weight320.35 g/mol
Exact Mass320.15
IUPAC Name1-cyclopropyl-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]urea
SMILESO=C(NCC(=O)N1CCN(C(=O)c2ccco2)CC1)NC1CC1
InChIInChI=1S/C15H20N4O4/c20-13(10-16-15(22)17-11-3-4-11)18-5-7-19(8-6-18)14(21)12-2-1-9-23-12/h1-2,9,11H,3-8,10H2,(H2,16,17,22)
InChIKeyKCTJHXIKIZDQJP-UHFFFAOYSA-N
XLogP0.03
TPSA94.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide
CID 6461144
N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-2,2-dimethylpropanamide
CID 112994595
N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]adamantane-1-carboxamide
CID 38910053
N-[2-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-2-oxoethyl]benzamide
CID 110807717
3-(cyclopentylamino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one
CID 109013650
N-cycloheptyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoacetamide
CID 108530988
1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-morpholin-4-ylpropane-1,3-dione
CID 108943477
3-(cycloheptylamino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one
CID 109030061
N-[2-[[1-(furan-2-carbonyl)piperidin-4-yl]amino]-2-oxoethyl]cyclopentanecarboxamide
CID 46450591
tert-butyl N-[2-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-2-oxoethyl]carbamate
CID 108543095
2-(4-fluoroanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 109004654
1-(furan-2-carbonyl)-N-(4-hydroxycyclohexyl)piperidine-4-carboxamide
CID 17447551

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]urea?
The IUPAC name of 1-cyclopropyl-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]urea (CID 112994619) is 1-cyclopropyl-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]urea.
What is the SMILES notation for 1-cyclopropyl-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]urea?
The canonical SMILES for 1-cyclopropyl-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]urea is O=C(NCC(=O)N1CCN(C(=O)c2ccco2)CC1)NC1CC1.
What is the InChIKey of 1-cyclopropyl-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]urea?
The InChIKey is KCTJHXIKIZDQJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O4/c20-13(10-16-15(22)17-11-3-4-11)18-5-7-19(8-6-18)14(21)12-2-1-9-23-12/h1-2,9,11H,3-8,10H2,(H2,16,17,22).
What are the key properties of 1-cyclopropyl-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]urea?
1-cyclopropyl-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]urea has a molecular weight of 320.35 g/mol, XLogP of 0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]urea is sourced from PubChem (CID 112994619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).