1-cyclohexyl-3-[5-[4-(furan-2-carbonyl)piperazin-1-yl]-2-pyridinyl]urea

C21H27N5O3 — CID 113029543

IUPAC1-cyclohexyl-3-[5-[4-(furan-2-carbonyl)piperazin-1-yl]-2-pyridinyl]urea
SMILESO=C(Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)cn1)NC1CCCCC1
InChIInChI=1S/C21H27N5O3/c27-20(18-7-4-14-29-18)26-12-10-25(11-13-26)17-8-9-19(22-15-17)24-21(28)23-16-5-2-1-3-6-16/h4,7-9,14-16H,1-3,5-6,10-13H2,(H2,22,23,24,28)
InChIKeyVIEBSLSZCWRIMQ-UHFFFAOYSA-N
MW397.48 g/mol
LogP3.09
Rot. Bonds4

About 1-cyclohexyl-3-[5-[4-(furan-2-carbonyl)piperazin-1-yl]-2-pyridinyl]urea

1-cyclohexyl-3-[5-[4-(furan-2-carbonyl)piperazin-1-yl]-2-pyridinyl]urea (PubChem CID 113029543) has the molecular formula C21H27N5O3 and a molecular weight of 397.48 g/mol. Its IUPAC name is 1-cyclohexyl-3-[5-[4-(furan-2-carbonyl)piperazin-1-yl]-2-pyridinyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[5-[4-(furan-2-carbonyl)piperazin-1-yl]-2-pyridinyl]urea
PubChem CID113029543
Molecular FormulaC21H27N5O3
Molecular Weight397.48 g/mol
Exact Mass397.21
IUPAC Name1-cyclohexyl-3-[5-[4-(furan-2-carbonyl)piperazin-1-yl]-2-pyridinyl]urea
SMILESO=C(Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)cn1)NC1CCCCC1
InChIInChI=1S/C21H27N5O3/c27-20(18-7-4-14-29-18)26-12-10-25(11-13-26)17-8-9-19(22-15-17)24-21(28)23-16-5-2-1-3-6-16/h4,7-9,14-16H,1-3,5-6,10-13H2,(H2,22,23,24,28)
InChIKeyVIEBSLSZCWRIMQ-UHFFFAOYSA-N
XLogP3.09
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[4-(furan-2-carbonyl)piperazin-1-yl]-2-pyridinyl]oxane-4-carboxamide
CID 113029548
N-cycloheptyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoacetamide
CID 108530988
1-cyclohexyl-3-[5-(3-methylpiperidin-1-yl)-2-pyridinyl]urea
CID 113030823
N-cycloheptyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]pyridine-4-carboxamide
CID 109174532
[4-(cycloheptylamino)piperidin-1-yl]-(furan-2-yl)methanone
CID 71896264
[2-(cyclopentylamino)-4-pyridinyl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
CID 109166110
[4-[5-(cyclopropylamino)pyrazine-2-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 109271816
N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]cyclopropanecarboxamide
CID 112984587
1-(3-fluoro-4-pyridinyl)-3-[1-(furan-2-carbonyl)piperidin-4-yl]urea
CID 86791229
N-cyclobutyl-4-(furan-2-carbonyl)-N'-methylpiperazine-1-carboximidamide
CID 119153283
1-cyclopropyl-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]urea
CID 112994619
[4-[6-(azepan-1-yl)pyridazin-3-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 7292456

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[5-[4-(furan-2-carbonyl)piperazin-1-yl]-2-pyridinyl]urea?
The IUPAC name of 1-cyclohexyl-3-[5-[4-(furan-2-carbonyl)piperazin-1-yl]-2-pyridinyl]urea (CID 113029543) is 1-cyclohexyl-3-[5-[4-(furan-2-carbonyl)piperazin-1-yl]-2-pyridinyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[5-[4-(furan-2-carbonyl)piperazin-1-yl]-2-pyridinyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[5-[4-(furan-2-carbonyl)piperazin-1-yl]-2-pyridinyl]urea is O=C(Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)cn1)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-[5-[4-(furan-2-carbonyl)piperazin-1-yl]-2-pyridinyl]urea?
The InChIKey is VIEBSLSZCWRIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O3/c27-20(18-7-4-14-29-18)26-12-10-25(11-13-26)17-8-9-19(22-15-17)24-21(28)23-16-5-2-1-3-6-16/h4,7-9,14-16H,1-3,5-6,10-13H2,(H2,22,23,24,28).
What are the key properties of 1-cyclohexyl-3-[5-[4-(furan-2-carbonyl)piperazin-1-yl]-2-pyridinyl]urea?
1-cyclohexyl-3-[5-[4-(furan-2-carbonyl)piperazin-1-yl]-2-pyridinyl]urea has a molecular weight of 397.48 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[5-[4-(furan-2-carbonyl)piperazin-1-yl]-2-pyridinyl]urea is sourced from PubChem (CID 113029543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).