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

C20H30N4O2 — CID 86660876

IUPACN-[4-[2-[4-(2,3-dihydrofuro[2,3-c]pyridin-7-yl)piperazin-1-yl]ethyl]cyclohexyl]formamide
SMILESO=CNC1CCC(CCN2CCN(c3nccc4c3OCC4)CC2)CC1
InChIInChI=1S/C20H30N4O2/c25-15-22-18-3-1-16(2-4-18)6-9-23-10-12-24(13-11-23)20-19-17(5-8-21-20)7-14-26-19/h5,8,15-16,18H,1-4,6-7,9-14H2,(H,22,25)
InChIKeyVCJWHCHPZKOTIP-UHFFFAOYSA-N
MW358.49 g/mol
LogP1.83
Rot. Bonds6

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

N-[4-[2-[4-(2,3-dihydrofuro[2,3-c]pyridin-7-yl)piperazin-1-yl]ethyl]cyclohexyl]formamide (PubChem CID 86660876) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is N-[4-[2-[4-(2,3-dihydrofuro[2,3-c]pyridin-7-yl)piperazin-1-yl]ethyl]cyclohexyl]formamide.

Molecular Properties

Compound NameN-[4-[2-[4-(2,3-dihydrofuro[2,3-c]pyridin-7-yl)piperazin-1-yl]ethyl]cyclohexyl]formamide
PubChem CID86660876
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC NameN-[4-[2-[4-(2,3-dihydrofuro[2,3-c]pyridin-7-yl)piperazin-1-yl]ethyl]cyclohexyl]formamide
SMILESO=CNC1CCC(CCN2CCN(c3nccc4c3OCC4)CC2)CC1
InChIInChI=1S/C20H30N4O2/c25-15-22-18-3-1-16(2-4-18)6-9-23-10-12-24(13-11-23)20-19-17(5-8-21-20)7-14-26-19/h5,8,15-16,18H,1-4,6-7,9-14H2,(H,22,25)
InChIKeyVCJWHCHPZKOTIP-UHFFFAOYSA-N
XLogP1.83
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-(2,3-dihydrofuro[2,3-c]pyridin-7-yl)piperazin-1-yl]ethyl]cyclohexyl]formamide?
The IUPAC name of N-[4-[2-[4-(2,3-dihydrofuro[2,3-c]pyridin-7-yl)piperazin-1-yl]ethyl]cyclohexyl]formamide (CID 86660876) is N-[4-[2-[4-(2,3-dihydrofuro[2,3-c]pyridin-7-yl)piperazin-1-yl]ethyl]cyclohexyl]formamide.
What is the SMILES notation for N-[4-[2-[4-(2,3-dihydrofuro[2,3-c]pyridin-7-yl)piperazin-1-yl]ethyl]cyclohexyl]formamide?
The canonical SMILES for N-[4-[2-[4-(2,3-dihydrofuro[2,3-c]pyridin-7-yl)piperazin-1-yl]ethyl]cyclohexyl]formamide is O=CNC1CCC(CCN2CCN(c3nccc4c3OCC4)CC2)CC1.
What is the InChIKey of N-[4-[2-[4-(2,3-dihydrofuro[2,3-c]pyridin-7-yl)piperazin-1-yl]ethyl]cyclohexyl]formamide?
The InChIKey is VCJWHCHPZKOTIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2/c25-15-22-18-3-1-16(2-4-18)6-9-23-10-12-24(13-11-23)20-19-17(5-8-21-20)7-14-26-19/h5,8,15-16,18H,1-4,6-7,9-14H2,(H,22,25).
What are the key properties of N-[4-[2-[4-(2,3-dihydrofuro[2,3-c]pyridin-7-yl)piperazin-1-yl]ethyl]cyclohexyl]formamide?
N-[4-[2-[4-(2,3-dihydrofuro[2,3-c]pyridin-7-yl)piperazin-1-yl]ethyl]cyclohexyl]formamide has a molecular weight of 358.49 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[4-(2,3-dihydrofuro[2,3-c]pyridin-7-yl)piperazin-1-yl]ethyl]cyclohexyl]formamide is sourced from PubChem (CID 86660876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).