[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-(2,3-dihydro-1H-inden-5-yl)methanone

C19H20ClN3O — CID 70716560

IUPAC[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-(2,3-dihydro-1H-inden-5-yl)methanone
SMILESO=C(c1ccc2c(c1)CCC2)N1CCN(c2ccc(Cl)cn2)CC1
InChIInChI=1S/C19H20ClN3O/c20-17-6-7-18(21-13-17)22-8-10-23(11-9-22)19(24)16-5-4-14-2-1-3-15(14)12-16/h4-7,12-13H,1-3,8-11H2
InChIKeyUMBYOIZQFGCGAX-UHFFFAOYSA-N
MW341.84 g/mol
LogP3.19
Rot. Bonds2

About [4-(5-chloro-2-pyridinyl)piperazin-1-yl]-(2,3-dihydro-1H-inden-5-yl)methanone

[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-(2,3-dihydro-1H-inden-5-yl)methanone (PubChem CID 70716560) has the molecular formula C19H20ClN3O and a molecular weight of 341.84 g/mol. Its IUPAC name is [4-(5-chloro-2-pyridinyl)piperazin-1-yl]-(2,3-dihydro-1H-inden-5-yl)methanone.

Molecular Properties

Compound Name[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-(2,3-dihydro-1H-inden-5-yl)methanone
PubChem CID70716560
Molecular FormulaC19H20ClN3O
Molecular Weight341.84 g/mol
Exact Mass341.13
IUPAC Name[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-(2,3-dihydro-1H-inden-5-yl)methanone
SMILESO=C(c1ccc2c(c1)CCC2)N1CCN(c2ccc(Cl)cn2)CC1
InChIInChI=1S/C19H20ClN3O/c20-17-6-7-18(21-13-17)22-8-10-23(11-9-22)19(24)16-5-4-14-2-1-3-15(14)12-16/h4-7,12-13H,1-3,8-11H2
InChIKeyUMBYOIZQFGCGAX-UHFFFAOYSA-N
XLogP3.19
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(5-chloro-2-pyridinyl)piperazin-1-yl]-(2,3-dihydro-1H-inden-5-yl)methanone?
The IUPAC name of [4-(5-chloro-2-pyridinyl)piperazin-1-yl]-(2,3-dihydro-1H-inden-5-yl)methanone (CID 70716560) is [4-(5-chloro-2-pyridinyl)piperazin-1-yl]-(2,3-dihydro-1H-inden-5-yl)methanone.
What is the SMILES notation for [4-(5-chloro-2-pyridinyl)piperazin-1-yl]-(2,3-dihydro-1H-inden-5-yl)methanone?
The canonical SMILES for [4-(5-chloro-2-pyridinyl)piperazin-1-yl]-(2,3-dihydro-1H-inden-5-yl)methanone is O=C(c1ccc2c(c1)CCC2)N1CCN(c2ccc(Cl)cn2)CC1.
What is the InChIKey of [4-(5-chloro-2-pyridinyl)piperazin-1-yl]-(2,3-dihydro-1H-inden-5-yl)methanone?
The InChIKey is UMBYOIZQFGCGAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O/c20-17-6-7-18(21-13-17)22-8-10-23(11-9-22)19(24)16-5-4-14-2-1-3-15(14)12-16/h4-7,12-13H,1-3,8-11H2.
What are the key properties of [4-(5-chloro-2-pyridinyl)piperazin-1-yl]-(2,3-dihydro-1H-inden-5-yl)methanone?
[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-(2,3-dihydro-1H-inden-5-yl)methanone has a molecular weight of 341.84 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-chloro-2-pyridinyl)piperazin-1-yl]-(2,3-dihydro-1H-inden-5-yl)methanone is sourced from PubChem (CID 70716560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).