(9-chloro-5,6,7,8-tetrahydroacridin-3-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone

C24H30ClN3O — CID 15945469

IUPAC(9-chloro-5,6,7,8-tetrahydroacridin-3-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
SMILESO=C(c1ccc2c(Cl)c3c(nc2c1)CCCC3)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C24H30ClN3O/c25-23-19-6-2-3-7-21(19)26-22-16-17(8-9-20(22)23)24(29)28-14-10-18(11-15-28)27-12-4-1-5-13-27/h8-9,16,18H,1-7,10-15H2
InChIKeyLVKVMTLXBQFRMT-UHFFFAOYSA-N
MW411.98 g/mol
LogP4.86
Rot. Bonds2

About (9-chloro-5,6,7,8-tetrahydroacridin-3-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone

(9-chloro-5,6,7,8-tetrahydroacridin-3-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone (PubChem CID 15945469) has the molecular formula C24H30ClN3O and a molecular weight of 411.98 g/mol. Its IUPAC name is (9-chloro-5,6,7,8-tetrahydroacridin-3-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(9-chloro-5,6,7,8-tetrahydroacridin-3-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
PubChem CID15945469
Molecular FormulaC24H30ClN3O
Molecular Weight411.98 g/mol
Exact Mass411.21
IUPAC Name(9-chloro-5,6,7,8-tetrahydroacridin-3-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone
SMILESO=C(c1ccc2c(Cl)c3c(nc2c1)CCCC3)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C24H30ClN3O/c25-23-19-6-2-3-7-21(19)26-22-16-17(8-9-20(22)23)24(29)28-14-10-18(11-15-28)27-12-4-1-5-13-27/h8-9,16,18H,1-7,10-15H2
InChIKeyLVKVMTLXBQFRMT-UHFFFAOYSA-N
XLogP4.86
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.98
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (9-chloro-5,6,7,8-tetrahydroacridin-3-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone?
The IUPAC name of (9-chloro-5,6,7,8-tetrahydroacridin-3-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone (CID 15945469) is (9-chloro-5,6,7,8-tetrahydroacridin-3-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (9-chloro-5,6,7,8-tetrahydroacridin-3-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone?
The canonical SMILES for (9-chloro-5,6,7,8-tetrahydroacridin-3-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone is O=C(c1ccc2c(Cl)c3c(nc2c1)CCCC3)N1CCC(N2CCCCC2)CC1.
What is the InChIKey of (9-chloro-5,6,7,8-tetrahydroacridin-3-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone?
The InChIKey is LVKVMTLXBQFRMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClN3O/c25-23-19-6-2-3-7-21(19)26-22-16-17(8-9-20(22)23)24(29)28-14-10-18(11-15-28)27-12-4-1-5-13-27/h8-9,16,18H,1-7,10-15H2.
What are the key properties of (9-chloro-5,6,7,8-tetrahydroacridin-3-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone?
(9-chloro-5,6,7,8-tetrahydroacridin-3-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone has a molecular weight of 411.98 g/mol, XLogP of 4.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (9-chloro-5,6,7,8-tetrahydroacridin-3-yl)-(4-piperidin-1-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 15945469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).