4-[4-[2-[4-(methylsulfonylmethyl)cyclohexyl]ethyl]piperazin-1-yl]-2,3-dihydrofuro[3,2-c]pyridine

C21H33N3O3S — CID 58567351

IUPAC4-[4-[2-[4-(methylsulfonylmethyl)cyclohexyl]ethyl]piperazin-1-yl]-2,3-dihydrofuro[3,2-c]pyridine
SMILESCS(=O)(=O)CC1CCC(CCN2CCN(c3nccc4c3CCO4)CC2)CC1
InChIInChI=1S/C21H33N3O3S/c1-28(25,26)16-18-4-2-17(3-5-18)7-10-23-11-13-24(14-12-23)21-19-8-15-27-20(19)6-9-22-21/h6,9,17-18H,2-5,7-8,10-16H2,1H3
InChIKeyRBRBFGQSTAMDAN-UHFFFAOYSA-N
MW407.58 g/mol
LogP2.38
Rot. Bonds6

About 4-[4-[2-[4-(methylsulfonylmethyl)cyclohexyl]ethyl]piperazin-1-yl]-2,3-dihydrofuro[3,2-c]pyridine

4-[4-[2-[4-(methylsulfonylmethyl)cyclohexyl]ethyl]piperazin-1-yl]-2,3-dihydrofuro[3,2-c]pyridine (PubChem CID 58567351) has the molecular formula C21H33N3O3S and a molecular weight of 407.58 g/mol. Its IUPAC name is 4-[4-[2-[4-(methylsulfonylmethyl)cyclohexyl]ethyl]piperazin-1-yl]-2,3-dihydrofuro[3,2-c]pyridine.

Molecular Properties

Compound Name4-[4-[2-[4-(methylsulfonylmethyl)cyclohexyl]ethyl]piperazin-1-yl]-2,3-dihydrofuro[3,2-c]pyridine
PubChem CID58567351
Molecular FormulaC21H33N3O3S
Molecular Weight407.58 g/mol
Exact Mass407.22
IUPAC Name4-[4-[2-[4-(methylsulfonylmethyl)cyclohexyl]ethyl]piperazin-1-yl]-2,3-dihydrofuro[3,2-c]pyridine
SMILESCS(=O)(=O)CC1CCC(CCN2CCN(c3nccc4c3CCO4)CC2)CC1
InChIInChI=1S/C21H33N3O3S/c1-28(25,26)16-18-4-2-17(3-5-18)7-10-23-11-13-24(14-12-23)21-19-8-15-27-20(19)6-9-22-21/h6,9,17-18H,2-5,7-8,10-16H2,1H3
InChIKeyRBRBFGQSTAMDAN-UHFFFAOYSA-N
XLogP2.38
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.58
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[4-[2-[4-(methylsulfonylmethyl)cyclohexyl]ethyl]piperazin-1-yl]-2,3-dihydrofuro[3,2-c]pyridine with MolForge

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Related Compounds

N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]acetamide
CID 54769741
cyclopropanol;[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]carbamic acid
CID 90309415
1-(4-chlorophenyl)-2-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]ethanone
CID 58567306
1-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-3-(oxolan-2-yl)propan-2-one
CID 58567338
N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-1-hydroxycyclobutane-1-carboxamide
CID 54771740
N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-4-phenylbenzamide
CID 54772199
N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-2-[(2S,4R)-4-hydroxyoxolan-2-yl]acetamide
CID 67125841
1-[4-[2-[4-(2,3-dihydrofuro[2,3-c]pyridin-7-yl)piperazin-1-yl]ethyl]cyclohexyl]-4,4-dimethylpentan-3-one
CID 123864443
3-[4-[2-[4-(2,3-dihydrofuro[2,3-c]pyridin-7-yl)piperazin-1-yl]ethyl]cyclohexyl]-1,1-dimethylurea
CID 56592251
1-[4-[2-[4-(2,3-dihydrofuro[2,3-c]pyridin-7-yl)piperazin-1-yl]ethyl]cyclohexyl]pentan-2-one
CID 58045670
1-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexan-1-amine;trihydrochloride
CID 140572824
N-[4-[2-[4-(2,3-dihydrofuro[2,3-c]pyridin-7-yl)piperazin-1-yl]ethyl]cyclohexyl]formamide
CID 86660876

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-[4-(methylsulfonylmethyl)cyclohexyl]ethyl]piperazin-1-yl]-2,3-dihydrofuro[3,2-c]pyridine?
The IUPAC name of 4-[4-[2-[4-(methylsulfonylmethyl)cyclohexyl]ethyl]piperazin-1-yl]-2,3-dihydrofuro[3,2-c]pyridine (CID 58567351) is 4-[4-[2-[4-(methylsulfonylmethyl)cyclohexyl]ethyl]piperazin-1-yl]-2,3-dihydrofuro[3,2-c]pyridine.
What is the SMILES notation for 4-[4-[2-[4-(methylsulfonylmethyl)cyclohexyl]ethyl]piperazin-1-yl]-2,3-dihydrofuro[3,2-c]pyridine?
The canonical SMILES for 4-[4-[2-[4-(methylsulfonylmethyl)cyclohexyl]ethyl]piperazin-1-yl]-2,3-dihydrofuro[3,2-c]pyridine is CS(=O)(=O)CC1CCC(CCN2CCN(c3nccc4c3CCO4)CC2)CC1.
What is the InChIKey of 4-[4-[2-[4-(methylsulfonylmethyl)cyclohexyl]ethyl]piperazin-1-yl]-2,3-dihydrofuro[3,2-c]pyridine?
The InChIKey is RBRBFGQSTAMDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O3S/c1-28(25,26)16-18-4-2-17(3-5-18)7-10-23-11-13-24(14-12-23)21-19-8-15-27-20(19)6-9-22-21/h6,9,17-18H,2-5,7-8,10-16H2,1H3.
What are the key properties of 4-[4-[2-[4-(methylsulfonylmethyl)cyclohexyl]ethyl]piperazin-1-yl]-2,3-dihydrofuro[3,2-c]pyridine?
4-[4-[2-[4-(methylsulfonylmethyl)cyclohexyl]ethyl]piperazin-1-yl]-2,3-dihydrofuro[3,2-c]pyridine has a molecular weight of 407.58 g/mol, XLogP of 2.38, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-[4-(methylsulfonylmethyl)cyclohexyl]ethyl]piperazin-1-yl]-2,3-dihydrofuro[3,2-c]pyridine is sourced from PubChem (CID 58567351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).