cyclopropanol;[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]carbamic acid

C23H36N4O4 — CID 90309415

IUPACcyclopropanol;[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]carbamic acid
SMILESO=C(O)NC1CCC(CCN2CCN(c3nccc4c3CCO4)CC2)CC1.OC1CC1
InChIInChI=1S/C20H30N4O3.C3H6O/c25-20(26)22-16-3-1-15(2-4-16)6-9-23-10-12-24(13-11-23)19-17-7-14-27-18(17)5-8-21-19;4-3-1-2-3/h5,8,15-16,22H,1-4,6-7,9-14H2,(H,25,26);3-4H,1-2H2
InChIKeyQQKNFXNAPDVKBA-UHFFFAOYSA-N
MW432.57 g/mol
LogP2.50
Rot. Bonds5

About cyclopropanol;[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]carbamic acid

cyclopropanol;[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]carbamic acid (PubChem CID 90309415) has the molecular formula C23H36N4O4 and a molecular weight of 432.57 g/mol. Its IUPAC name is cyclopropanol;[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]carbamic acid.

Molecular Properties

Compound Namecyclopropanol;[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]carbamic acid
PubChem CID90309415
Molecular FormulaC23H36N4O4
Molecular Weight432.57 g/mol
Exact Mass432.27
IUPAC Namecyclopropanol;[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]carbamic acid
SMILESO=C(O)NC1CCC(CCN2CCN(c3nccc4c3CCO4)CC2)CC1.OC1CC1
InChIInChI=1S/C20H30N4O3.C3H6O/c25-20(26)22-16-3-1-15(2-4-16)6-9-23-10-12-24(13-11-23)19-17-7-14-27-18(17)5-8-21-19;4-3-1-2-3/h5,8,15-16,22H,1-4,6-7,9-14H2,(H,25,26);3-4H,1-2H2
InChIKeyQQKNFXNAPDVKBA-UHFFFAOYSA-N
XLogP2.50
TPSA98.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of cyclopropanol;[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]carbamic acid?
The IUPAC name of cyclopropanol;[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]carbamic acid (CID 90309415) is cyclopropanol;[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]carbamic acid.
What is the SMILES notation for cyclopropanol;[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]carbamic acid?
The canonical SMILES for cyclopropanol;[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]carbamic acid is O=C(O)NC1CCC(CCN2CCN(c3nccc4c3CCO4)CC2)CC1.OC1CC1.
What is the InChIKey of cyclopropanol;[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]carbamic acid?
The InChIKey is QQKNFXNAPDVKBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O3.C3H6O/c25-20(26)22-16-3-1-15(2-4-16)6-9-23-10-12-24(13-11-23)19-17-7-14-27-18(17)5-8-21-19;4-3-1-2-3/h5,8,15-16,22H,1-4,6-7,9-14H2,(H,25,26);3-4H,1-2H2.
What are the key properties of cyclopropanol;[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]carbamic acid?
cyclopropanol;[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]carbamic acid has a molecular weight of 432.57 g/mol, XLogP of 2.50, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropanol;[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]carbamic acid is sourced from PubChem (CID 90309415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).