N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-1-hydroxycyclobutane-1-carboxamide

C24H36N4O3 — CID 54771740

IUPACN-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-1-hydroxycyclobutane-1-carboxamide
SMILESO=C(NC1CCC(CCN2CCN(c3nccc4c3CCO4)CC2)CC1)C1(O)CCC1
InChIInChI=1S/C24H36N4O3/c29-23(24(30)9-1-10-24)26-19-4-2-18(3-5-19)7-12-27-13-15-28(16-14-27)22-20-8-17-31-21(20)6-11-25-22/h6,11,18-19,30H,1-5,7-10,12-17H2,(H,26,29)
InChIKeyWPDISOIHGGRFRZ-UHFFFAOYSA-N
MW428.58 g/mol
LogP2.12
Rot. Bonds6

About N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-1-hydroxycyclobutane-1-carboxamide

N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-1-hydroxycyclobutane-1-carboxamide (PubChem CID 54771740) has the molecular formula C24H36N4O3 and a molecular weight of 428.58 g/mol. Its IUPAC name is N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-1-hydroxycyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-1-hydroxycyclobutane-1-carboxamide
PubChem CID54771740
Molecular FormulaC24H36N4O3
Molecular Weight428.58 g/mol
Exact Mass428.28
IUPAC NameN-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-1-hydroxycyclobutane-1-carboxamide
SMILESO=C(NC1CCC(CCN2CCN(c3nccc4c3CCO4)CC2)CC1)C1(O)CCC1
InChIInChI=1S/C24H36N4O3/c29-23(24(30)9-1-10-24)26-19-4-2-18(3-5-19)7-12-27-13-15-28(16-14-27)22-20-8-17-31-21(20)6-11-25-22/h6,11,18-19,30H,1-5,7-10,12-17H2,(H,26,29)
InChIKeyWPDISOIHGGRFRZ-UHFFFAOYSA-N
XLogP2.12
TPSA77.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.58
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-1-hydroxycyclobutane-1-carboxamide?
The IUPAC name of N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-1-hydroxycyclobutane-1-carboxamide (CID 54771740) is N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-1-hydroxycyclobutane-1-carboxamide.
What is the SMILES notation for N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-1-hydroxycyclobutane-1-carboxamide?
The canonical SMILES for N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-1-hydroxycyclobutane-1-carboxamide is O=C(NC1CCC(CCN2CCN(c3nccc4c3CCO4)CC2)CC1)C1(O)CCC1.
What is the InChIKey of N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-1-hydroxycyclobutane-1-carboxamide?
The InChIKey is WPDISOIHGGRFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N4O3/c29-23(24(30)9-1-10-24)26-19-4-2-18(3-5-19)7-12-27-13-15-28(16-14-27)22-20-8-17-31-21(20)6-11-25-22/h6,11,18-19,30H,1-5,7-10,12-17H2,(H,26,29).
What are the key properties of N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-1-hydroxycyclobutane-1-carboxamide?
N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-1-hydroxycyclobutane-1-carboxamide has a molecular weight of 428.58 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexyl]-1-hydroxycyclobutane-1-carboxamide is sourced from PubChem (CID 54771740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).