1-[1-(4-cyanophenyl)piperidin-4-yl]-3-[[3-(morpholin-4-ylmethyl)phenyl]methyl]urea

C25H31N5O2 — CID 86869214

IUPAC1-[1-(4-cyanophenyl)piperidin-4-yl]-3-[[3-(morpholin-4-ylmethyl)phenyl]methyl]urea
SMILESN#Cc1ccc(N2CCC(NC(=O)NCc3cccc(CN4CCOCC4)c3)CC2)cc1
InChIInChI=1S/C25H31N5O2/c26-17-20-4-6-24(7-5-20)30-10-8-23(9-11-30)28-25(31)27-18-21-2-1-3-22(16-21)19-29-12-14-32-15-13-29/h1-7,16,23H,8-15,18-19H2,(H2,27,28,31)
InChIKeyRTUHUAMSIPAITK-UHFFFAOYSA-N
MW433.56 g/mol
LogP2.86
Rot. Bonds6

About 1-[1-(4-cyanophenyl)piperidin-4-yl]-3-[[3-(morpholin-4-ylmethyl)phenyl]methyl]urea

1-[1-(4-cyanophenyl)piperidin-4-yl]-3-[[3-(morpholin-4-ylmethyl)phenyl]methyl]urea (PubChem CID 86869214) has the molecular formula C25H31N5O2 and a molecular weight of 433.56 g/mol. Its IUPAC name is 1-[1-(4-cyanophenyl)piperidin-4-yl]-3-[[3-(morpholin-4-ylmethyl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-[1-(4-cyanophenyl)piperidin-4-yl]-3-[[3-(morpholin-4-ylmethyl)phenyl]methyl]urea
PubChem CID86869214
Molecular FormulaC25H31N5O2
Molecular Weight433.56 g/mol
Exact Mass433.25
IUPAC Name1-[1-(4-cyanophenyl)piperidin-4-yl]-3-[[3-(morpholin-4-ylmethyl)phenyl]methyl]urea
SMILESN#Cc1ccc(N2CCC(NC(=O)NCc3cccc(CN4CCOCC4)c3)CC2)cc1
InChIInChI=1S/C25H31N5O2/c26-17-20-4-6-24(7-5-20)30-10-8-23(9-11-30)28-25(31)27-18-21-2-1-3-22(16-21)19-29-12-14-32-15-13-29/h1-7,16,23H,8-15,18-19H2,(H2,27,28,31)
InChIKeyRTUHUAMSIPAITK-UHFFFAOYSA-N
XLogP2.86
TPSA80.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.56
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[1-(4-cyanophenyl)piperidin-4-yl]-3-[[3-(morpholin-4-ylmethyl)phenyl]methyl]urea with MolForge

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Related Compounds

1-[1-(4-cyanophenyl)piperidin-4-yl]-3-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]urea
CID 86880901
1-(1-benzylpiperidin-4-yl)-3-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]urea
CID 38886852
1-(4-cyanophenyl)-3-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]urea
CID 38886855
1-cycloheptyl-3-[[4-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 17456252
1-[(3-cyanophenyl)methyl]-3-cyclohexylurea
CID 47216904
1-[1-(4-cyanophenyl)piperidin-4-yl]-3-(3-hydroxybutyl)urea
CID 111337334
2-(cyclopropylmethylamino)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 119847373
2-methyl-1-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-3-(1-phenylpyrrolidin-3-yl)guanidine;hydroiodide
CID 111909254
N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]oxolane-2-carboxamide
CID 51090955
4-[(3-cyanophenyl)methylcarbamoylamino]oxolane-3-carboxylic acid
CID 66239975
1-(2-methylphenyl)-3-[[3-(morpholin-4-ylmethyl)phenyl]methyl]urea
CID 87008869
(3aR,6aR)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
CID 124593335

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-cyanophenyl)piperidin-4-yl]-3-[[3-(morpholin-4-ylmethyl)phenyl]methyl]urea?
The IUPAC name of 1-[1-(4-cyanophenyl)piperidin-4-yl]-3-[[3-(morpholin-4-ylmethyl)phenyl]methyl]urea (CID 86869214) is 1-[1-(4-cyanophenyl)piperidin-4-yl]-3-[[3-(morpholin-4-ylmethyl)phenyl]methyl]urea.
What is the SMILES notation for 1-[1-(4-cyanophenyl)piperidin-4-yl]-3-[[3-(morpholin-4-ylmethyl)phenyl]methyl]urea?
The canonical SMILES for 1-[1-(4-cyanophenyl)piperidin-4-yl]-3-[[3-(morpholin-4-ylmethyl)phenyl]methyl]urea is N#Cc1ccc(N2CCC(NC(=O)NCc3cccc(CN4CCOCC4)c3)CC2)cc1.
What is the InChIKey of 1-[1-(4-cyanophenyl)piperidin-4-yl]-3-[[3-(morpholin-4-ylmethyl)phenyl]methyl]urea?
The InChIKey is RTUHUAMSIPAITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O2/c26-17-20-4-6-24(7-5-20)30-10-8-23(9-11-30)28-25(31)27-18-21-2-1-3-22(16-21)19-29-12-14-32-15-13-29/h1-7,16,23H,8-15,18-19H2,(H2,27,28,31).
What are the key properties of 1-[1-(4-cyanophenyl)piperidin-4-yl]-3-[[3-(morpholin-4-ylmethyl)phenyl]methyl]urea?
1-[1-(4-cyanophenyl)piperidin-4-yl]-3-[[3-(morpholin-4-ylmethyl)phenyl]methyl]urea has a molecular weight of 433.56 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-cyanophenyl)piperidin-4-yl]-3-[[3-(morpholin-4-ylmethyl)phenyl]methyl]urea is sourced from PubChem (CID 86869214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).