[4-[4-(3-methoxyphenyl)piperazin-1-yl]phthalazin-1-yl]-pyrrolidin-1-ylmethanone

C24H27N5O2 — CID 42691115

IUPAC[4-[4-(3-methoxyphenyl)piperazin-1-yl]phthalazin-1-yl]-pyrrolidin-1-ylmethanone
SMILESCOc1cccc(N2CCN(c3nnc(C(=O)N4CCCC4)c4ccccc34)CC2)c1
InChIInChI=1S/C24H27N5O2/c1-31-19-8-6-7-18(17-19)27-13-15-28(16-14-27)23-21-10-3-2-9-20(21)22(25-26-23)24(30)29-11-4-5-12-29/h2-3,6-10,17H,4-5,11-16H2,1H3
InChIKeyKAJSCEZESGNJIV-UHFFFAOYSA-N
MW417.51 g/mol
LogP3.20
Rot. Bonds4

About [4-[4-(3-methoxyphenyl)piperazin-1-yl]phthalazin-1-yl]-pyrrolidin-1-ylmethanone

[4-[4-(3-methoxyphenyl)piperazin-1-yl]phthalazin-1-yl]-pyrrolidin-1-ylmethanone (PubChem CID 42691115) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is [4-[4-(3-methoxyphenyl)piperazin-1-yl]phthalazin-1-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[4-[4-(3-methoxyphenyl)piperazin-1-yl]phthalazin-1-yl]-pyrrolidin-1-ylmethanone
PubChem CID42691115
Molecular FormulaC24H27N5O2
Molecular Weight417.51 g/mol
Exact Mass417.22
IUPAC Name[4-[4-(3-methoxyphenyl)piperazin-1-yl]phthalazin-1-yl]-pyrrolidin-1-ylmethanone
SMILESCOc1cccc(N2CCN(c3nnc(C(=O)N4CCCC4)c4ccccc34)CC2)c1
InChIInChI=1S/C24H27N5O2/c1-31-19-8-6-7-18(17-19)27-13-15-28(16-14-27)23-21-10-3-2-9-20(21)22(25-26-23)24(30)29-11-4-5-12-29/h2-3,6-10,17H,4-5,11-16H2,1H3
InChIKeyKAJSCEZESGNJIV-UHFFFAOYSA-N
XLogP3.20
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[4-(3-methoxyphenyl)piperazin-1-yl]phthalazin-1-yl]-(4-methylpiperazin-1-yl)methanone
CID 42691138
[4-(4-methylpiperazin-1-yl)phthalazin-1-yl]-pyrrolidin-1-ylmethanone
CID 42690942
4-[4-(3-methoxyphenyl)piperazin-1-yl]-N-morpholin-4-ylphthalazine-1-carboxamide
CID 42691125
4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-2-phenylphthalazin-1-one
CID 38574233
4-[4-(3-methoxyphenyl)piperazin-1-yl]-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]phthalazine-1-carboxamide
CID 93009657
[4-[4-(3,4-dichlorophenyl)piperazin-1-yl]phthalazin-1-yl]-(4-phenylpiperazin-1-yl)methanone
CID 42878392
[4-[4-(2-chlorophenyl)piperazin-1-yl]phthalazin-1-yl]-pyrrolidin-1-ylmethanone
CID 42878282
[4-[4-(4-fluorophenyl)piperazin-1-yl]phthalazin-1-yl]-(4-phenylpiperazin-1-yl)methanone
CID 42691070
(2-chlorophenyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 3836254
[4-(3-methoxyphenyl)piperazin-1-yl]-(3-phenylcinnolin-4-yl)methanone
CID 46288051
(2-chloro-3-pyridinyl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 9372250
(5,7-dimethyl-4-pyrrolidin-1-ylpyrido[2,3-d]pyrimidin-2-yl)-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 71838007

Frequently Asked Questions

What is the IUPAC name of [4-[4-(3-methoxyphenyl)piperazin-1-yl]phthalazin-1-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [4-[4-(3-methoxyphenyl)piperazin-1-yl]phthalazin-1-yl]-pyrrolidin-1-ylmethanone (CID 42691115) is [4-[4-(3-methoxyphenyl)piperazin-1-yl]phthalazin-1-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [4-[4-(3-methoxyphenyl)piperazin-1-yl]phthalazin-1-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [4-[4-(3-methoxyphenyl)piperazin-1-yl]phthalazin-1-yl]-pyrrolidin-1-ylmethanone is COc1cccc(N2CCN(c3nnc(C(=O)N4CCCC4)c4ccccc34)CC2)c1.
What is the InChIKey of [4-[4-(3-methoxyphenyl)piperazin-1-yl]phthalazin-1-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is KAJSCEZESGNJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2/c1-31-19-8-6-7-18(17-19)27-13-15-28(16-14-27)23-21-10-3-2-9-20(21)22(25-26-23)24(30)29-11-4-5-12-29/h2-3,6-10,17H,4-5,11-16H2,1H3.
What are the key properties of [4-[4-(3-methoxyphenyl)piperazin-1-yl]phthalazin-1-yl]-pyrrolidin-1-ylmethanone?
[4-[4-(3-methoxyphenyl)piperazin-1-yl]phthalazin-1-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 417.51 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(3-methoxyphenyl)piperazin-1-yl]phthalazin-1-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 42691115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).