1-(3-chloro-4-piperidin-1-ylphenyl)-3-(furan-2-ylmethyl)urea

C17H20ClN3O2 — CID 60590963

IUPAC1-(3-chloro-4-piperidin-1-ylphenyl)-3-(furan-2-ylmethyl)urea
SMILESO=C(NCc1ccco1)Nc1ccc(N2CCCCC2)c(Cl)c1
InChIInChI=1S/C17H20ClN3O2/c18-15-11-13(6-7-16(15)21-8-2-1-3-9-21)20-17(22)19-12-14-5-4-10-23-14/h4-7,10-11H,1-3,8-9,12H2,(H2,19,20,22)
InChIKeyXXOWPKOBTLILDY-UHFFFAOYSA-N
MW333.82 g/mol
LogP4.24
Rot. Bonds4

About 1-(3-chloro-4-piperidin-1-ylphenyl)-3-(furan-2-ylmethyl)urea

1-(3-chloro-4-piperidin-1-ylphenyl)-3-(furan-2-ylmethyl)urea (PubChem CID 60590963) has the molecular formula C17H20ClN3O2 and a molecular weight of 333.82 g/mol. Its IUPAC name is 1-(3-chloro-4-piperidin-1-ylphenyl)-3-(furan-2-ylmethyl)urea.

Molecular Properties

Compound Name1-(3-chloro-4-piperidin-1-ylphenyl)-3-(furan-2-ylmethyl)urea
PubChem CID60590963
Molecular FormulaC17H20ClN3O2
Molecular Weight333.82 g/mol
Exact Mass333.12
IUPAC Name1-(3-chloro-4-piperidin-1-ylphenyl)-3-(furan-2-ylmethyl)urea
SMILESO=C(NCc1ccco1)Nc1ccc(N2CCCCC2)c(Cl)c1
InChIInChI=1S/C17H20ClN3O2/c18-15-11-13(6-7-16(15)21-8-2-1-3-9-21)20-17(22)19-12-14-5-4-10-23-14/h4-7,10-11H,1-3,8-9,12H2,(H2,19,20,22)
InChIKeyXXOWPKOBTLILDY-UHFFFAOYSA-N
XLogP4.24
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

1-(3-chloro-4-pyrrolidin-1-ylphenyl)-3-(2-hydroxyethyl)urea
CID 111426564
1-(3-chloro-4-piperidin-1-ylphenyl)-3-(3-hydroxypropyl)urea
CID 60611854
2-[(3,4-dichlorophenyl)carbamoylamino]-N-(furan-2-ylmethyl)acetamide
CID 18101847
N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]cyclohexanecarboxamide
CID 35334881
N-[2-(azepan-1-yl)phenyl]-2-(furan-2-ylmethylcarbamoylamino)acetamide
CID 60544041
N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-2-phenyl-2-pyrrolidin-1-ylacetamide
CID 86885500
N-[1-(3-chloro-4-piperidin-1-ylanilino)-1-oxopropan-2-yl]furan-2-carboxamide
CID 86830485
2-[5-amino-3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-(3-chloro-4-piperidin-1-ylphenyl)acetamide
CID 92571086
1-(furan-2-ylmethyl)-3-(4-piperidin-1-ylphenyl)thiourea
CID 8626316
1-N-(furan-2-ylmethyl)-4-N-(4-pyrrolidin-1-ylphenyl)benzene-1,4-dicarboxamide
CID 109046634
N-(furan-2-ylmethyl)-N'-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)oxamide
CID 7658164
N-(3-chloro-4-piperidin-1-ylphenyl)-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 55885276

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-piperidin-1-ylphenyl)-3-(furan-2-ylmethyl)urea?
The IUPAC name of 1-(3-chloro-4-piperidin-1-ylphenyl)-3-(furan-2-ylmethyl)urea (CID 60590963) is 1-(3-chloro-4-piperidin-1-ylphenyl)-3-(furan-2-ylmethyl)urea.
What is the SMILES notation for 1-(3-chloro-4-piperidin-1-ylphenyl)-3-(furan-2-ylmethyl)urea?
The canonical SMILES for 1-(3-chloro-4-piperidin-1-ylphenyl)-3-(furan-2-ylmethyl)urea is O=C(NCc1ccco1)Nc1ccc(N2CCCCC2)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-piperidin-1-ylphenyl)-3-(furan-2-ylmethyl)urea?
The InChIKey is XXOWPKOBTLILDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O2/c18-15-11-13(6-7-16(15)21-8-2-1-3-9-21)20-17(22)19-12-14-5-4-10-23-14/h4-7,10-11H,1-3,8-9,12H2,(H2,19,20,22).
What are the key properties of 1-(3-chloro-4-piperidin-1-ylphenyl)-3-(furan-2-ylmethyl)urea?
1-(3-chloro-4-piperidin-1-ylphenyl)-3-(furan-2-ylmethyl)urea has a molecular weight of 333.82 g/mol, XLogP of 4.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-piperidin-1-ylphenyl)-3-(furan-2-ylmethyl)urea is sourced from PubChem (CID 60590963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).