3-[4-[2-[4-(2,3-dihydrofuro[2,3-c]pyridin-7-yl)piperazin-1-yl]ethyl]cyclohexyl]-1,1-dimethylurea

C22H35N5O2 — CID 56592251

IUPAC3-[4-[2-[4-(2,3-dihydrofuro[2,3-c]pyridin-7-yl)piperazin-1-yl]ethyl]cyclohexyl]-1,1-dimethylurea
SMILESCN(C)C(=O)NC1CCC(CCN2CCN(c3nccc4c3OCC4)CC2)CC1
InChIInChI=1S/C22H35N5O2/c1-25(2)22(28)24-19-5-3-17(4-6-19)8-11-26-12-14-27(15-13-26)21-20-18(7-10-23-21)9-16-29-20/h7,10,17,19H,3-6,8-9,11-16H2,1-2H3,(H,24,28)
InChIKeyGDNGARFJMNRCJQ-UHFFFAOYSA-N
MW401.56 g/mol
LogP2.36
Rot. Bonds5

About 3-[4-[2-[4-(2,3-dihydrofuro[2,3-c]pyridin-7-yl)piperazin-1-yl]ethyl]cyclohexyl]-1,1-dimethylurea

3-[4-[2-[4-(2,3-dihydrofuro[2,3-c]pyridin-7-yl)piperazin-1-yl]ethyl]cyclohexyl]-1,1-dimethylurea (PubChem CID 56592251) has the molecular formula C22H35N5O2 and a molecular weight of 401.56 g/mol. Its IUPAC name is 3-[4-[2-[4-(2,3-dihydrofuro[2,3-c]pyridin-7-yl)piperazin-1-yl]ethyl]cyclohexyl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[4-[2-[4-(2,3-dihydrofuro[2,3-c]pyridin-7-yl)piperazin-1-yl]ethyl]cyclohexyl]-1,1-dimethylurea
PubChem CID56592251
Molecular FormulaC22H35N5O2
Molecular Weight401.56 g/mol
Exact Mass401.28
IUPAC Name3-[4-[2-[4-(2,3-dihydrofuro[2,3-c]pyridin-7-yl)piperazin-1-yl]ethyl]cyclohexyl]-1,1-dimethylurea
SMILESCN(C)C(=O)NC1CCC(CCN2CCN(c3nccc4c3OCC4)CC2)CC1
InChIInChI=1S/C22H35N5O2/c1-25(2)22(28)24-19-5-3-17(4-6-19)8-11-26-12-14-27(15-13-26)21-20-18(7-10-23-21)9-16-29-20/h7,10,17,19H,3-6,8-9,11-16H2,1-2H3,(H,24,28)
InChIKeyGDNGARFJMNRCJQ-UHFFFAOYSA-N
XLogP2.36
TPSA60.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.56
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[4-[2-[4-(2,3-dihydrofuro[2,3-c]pyridin-7-yl)piperazin-1-yl]ethyl]cyclohexyl]-1,1-dimethylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-[4-(2,3-dihydrofuro[2,3-c]pyridin-7-yl)piperazin-1-yl]ethyl]cyclohexyl]-1,1-dimethylurea?
The IUPAC name of 3-[4-[2-[4-(2,3-dihydrofuro[2,3-c]pyridin-7-yl)piperazin-1-yl]ethyl]cyclohexyl]-1,1-dimethylurea (CID 56592251) is 3-[4-[2-[4-(2,3-dihydrofuro[2,3-c]pyridin-7-yl)piperazin-1-yl]ethyl]cyclohexyl]-1,1-dimethylurea.
What is the SMILES notation for 3-[4-[2-[4-(2,3-dihydrofuro[2,3-c]pyridin-7-yl)piperazin-1-yl]ethyl]cyclohexyl]-1,1-dimethylurea?
The canonical SMILES for 3-[4-[2-[4-(2,3-dihydrofuro[2,3-c]pyridin-7-yl)piperazin-1-yl]ethyl]cyclohexyl]-1,1-dimethylurea is CN(C)C(=O)NC1CCC(CCN2CCN(c3nccc4c3OCC4)CC2)CC1.
What is the InChIKey of 3-[4-[2-[4-(2,3-dihydrofuro[2,3-c]pyridin-7-yl)piperazin-1-yl]ethyl]cyclohexyl]-1,1-dimethylurea?
The InChIKey is GDNGARFJMNRCJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N5O2/c1-25(2)22(28)24-19-5-3-17(4-6-19)8-11-26-12-14-27(15-13-26)21-20-18(7-10-23-21)9-16-29-20/h7,10,17,19H,3-6,8-9,11-16H2,1-2H3,(H,24,28).
What are the key properties of 3-[4-[2-[4-(2,3-dihydrofuro[2,3-c]pyridin-7-yl)piperazin-1-yl]ethyl]cyclohexyl]-1,1-dimethylurea?
3-[4-[2-[4-(2,3-dihydrofuro[2,3-c]pyridin-7-yl)piperazin-1-yl]ethyl]cyclohexyl]-1,1-dimethylurea has a molecular weight of 401.56 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-[4-(2,3-dihydrofuro[2,3-c]pyridin-7-yl)piperazin-1-yl]ethyl]cyclohexyl]-1,1-dimethylurea is sourced from PubChem (CID 56592251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).