[4-(8-cyclohexyl-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl)-2-methylpiperazin-1-yl]-(furan-2-yl)methanone

C24H31N3O3 — CID 141356742

IUPAC[4-(8-cyclohexyl-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl)-2-methylpiperazin-1-yl]-(furan-2-yl)methanone
SMILESCC1CN(c2cc3c(c(C4CCCCC4)n2)COCC3)CCN1C(=O)c1ccco1
InChIInChI=1S/C24H31N3O3/c1-17-15-26(10-11-27(17)24(28)21-8-5-12-30-21)22-14-19-9-13-29-16-20(19)23(25-22)18-6-3-2-4-7-18/h5,8,12,14,17-18H,2-4,6-7,9-11,13,15-16H2,1H3
InChIKeyJRBMKGZGZBTYRX-UHFFFAOYSA-N
MW409.53 g/mol
LogP4.15
Rot. Bonds3

About [4-(8-cyclohexyl-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl)-2-methylpiperazin-1-yl]-(furan-2-yl)methanone

[4-(8-cyclohexyl-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl)-2-methylpiperazin-1-yl]-(furan-2-yl)methanone (PubChem CID 141356742) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is [4-(8-cyclohexyl-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl)-2-methylpiperazin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-(8-cyclohexyl-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl)-2-methylpiperazin-1-yl]-(furan-2-yl)methanone
PubChem CID141356742
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC Name[4-(8-cyclohexyl-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl)-2-methylpiperazin-1-yl]-(furan-2-yl)methanone
SMILESCC1CN(c2cc3c(c(C4CCCCC4)n2)COCC3)CCN1C(=O)c1ccco1
InChIInChI=1S/C24H31N3O3/c1-17-15-26(10-11-27(17)24(28)21-8-5-12-30-21)22-14-19-9-13-29-16-20(19)23(25-22)18-6-3-2-4-7-18/h5,8,12,14,17-18H,2-4,6-7,9-11,13,15-16H2,1H3
InChIKeyJRBMKGZGZBTYRX-UHFFFAOYSA-N
XLogP4.15
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(8-cyclohexyl-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl)-2-methylpiperazin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-(8-cyclohexyl-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl)-2-methylpiperazin-1-yl]-(furan-2-yl)methanone (CID 141356742) is [4-(8-cyclohexyl-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl)-2-methylpiperazin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-(8-cyclohexyl-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl)-2-methylpiperazin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-(8-cyclohexyl-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl)-2-methylpiperazin-1-yl]-(furan-2-yl)methanone is CC1CN(c2cc3c(c(C4CCCCC4)n2)COCC3)CCN1C(=O)c1ccco1.
What is the InChIKey of [4-(8-cyclohexyl-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl)-2-methylpiperazin-1-yl]-(furan-2-yl)methanone?
The InChIKey is JRBMKGZGZBTYRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3/c1-17-15-26(10-11-27(17)24(28)21-8-5-12-30-21)22-14-19-9-13-29-16-20(19)23(25-22)18-6-3-2-4-7-18/h5,8,12,14,17-18H,2-4,6-7,9-11,13,15-16H2,1H3.
What are the key properties of [4-(8-cyclohexyl-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl)-2-methylpiperazin-1-yl]-(furan-2-yl)methanone?
[4-(8-cyclohexyl-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl)-2-methylpiperazin-1-yl]-(furan-2-yl)methanone has a molecular weight of 409.53 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(8-cyclohexyl-3,4-dihydro-1H-pyrano[3,4-c]pyridin-6-yl)-2-methylpiperazin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 141356742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).