[1-(4-phenylpiperazin-1-yl)isoquinolin-7-yl]-piperidin-1-ylmethanone

C25H28N4O — CID 53010054

IUPAC[1-(4-phenylpiperazin-1-yl)isoquinolin-7-yl]-piperidin-1-ylmethanone
SMILESO=C(c1ccc2ccnc(N3CCN(c4ccccc4)CC3)c2c1)N1CCCCC1
InChIInChI=1S/C25H28N4O/c30-25(29-13-5-2-6-14-29)21-10-9-20-11-12-26-24(23(20)19-21)28-17-15-27(16-18-28)22-7-3-1-4-8-22/h1,3-4,7-12,19H,2,5-6,13-18H2
InChIKeyMZQMWOGIWPCIFG-UHFFFAOYSA-N
MW400.53 g/mol
LogP4.19
Rot. Bonds3

About [1-(4-phenylpiperazin-1-yl)isoquinolin-7-yl]-piperidin-1-ylmethanone

[1-(4-phenylpiperazin-1-yl)isoquinolin-7-yl]-piperidin-1-ylmethanone (PubChem CID 53010054) has the molecular formula C25H28N4O and a molecular weight of 400.53 g/mol. Its IUPAC name is [1-(4-phenylpiperazin-1-yl)isoquinolin-7-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[1-(4-phenylpiperazin-1-yl)isoquinolin-7-yl]-piperidin-1-ylmethanone
PubChem CID53010054
Molecular FormulaC25H28N4O
Molecular Weight400.53 g/mol
Exact Mass400.23
IUPAC Name[1-(4-phenylpiperazin-1-yl)isoquinolin-7-yl]-piperidin-1-ylmethanone
SMILESO=C(c1ccc2ccnc(N3CCN(c4ccccc4)CC3)c2c1)N1CCCCC1
InChIInChI=1S/C25H28N4O/c30-25(29-13-5-2-6-14-29)21-10-9-20-11-12-26-24(23(20)19-21)28-17-15-27(16-18-28)22-7-3-1-4-8-22/h1,3-4,7-12,19H,2,5-6,13-18H2
InChIKeyMZQMWOGIWPCIFG-UHFFFAOYSA-N
XLogP4.19
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

azepan-1-yl-[1-[4-(4-methoxyphenyl)piperazin-1-yl]isoquinolin-7-yl]methanone
CID 53102246
(4-methylpiperidin-1-yl)-[1-(4-phenylpiperazin-1-yl)isoquinolin-7-yl]methanone
CID 53035343
[2-(4-phenylpiperazin-1-yl)-4-pyridinyl]-piperidin-1-ylmethanone
CID 109166154
1-pyrrolidin-1-ylisoquinoline-7-carboxylic acid
CID 82571132
[1-[4-(4-methoxyphenyl)piperazin-1-yl]isoquinolin-7-yl]-morpholin-4-ylmethanone
CID 53010018
[2-(4-phenylpiperazine-1-carbonyl)-4-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109080358
N-[(3R)-3-(azepan-1-yl)butyl]-1-(4-phenylpiperazin-1-yl)isoquinoline-7-carboxamide
CID 95082723
[1-[4-(4-chlorophenyl)piperazin-1-yl]isoquinolin-7-yl]-(4-propylpiperazin-1-yl)methanone
CID 53102305
naphthalen-2-yl-[4-(4-piperidin-1-ylphenyl)piperazin-1-yl]methanone
CID 10573019
[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]-piperidin-1-ylmethanone
CID 109249944
(4-phenylpiperazin-1-yl)-(2-pyrrolidin-1-yl-3-pyridinyl)methanone
CID 8934171
N-[(3-methoxyphenyl)methyl]-1-(4-phenylpiperazin-1-yl)isoquinoline-7-carboxamide
CID 53102427

Frequently Asked Questions

What is the IUPAC name of [1-(4-phenylpiperazin-1-yl)isoquinolin-7-yl]-piperidin-1-ylmethanone?
The IUPAC name of [1-(4-phenylpiperazin-1-yl)isoquinolin-7-yl]-piperidin-1-ylmethanone (CID 53010054) is [1-(4-phenylpiperazin-1-yl)isoquinolin-7-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [1-(4-phenylpiperazin-1-yl)isoquinolin-7-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [1-(4-phenylpiperazin-1-yl)isoquinolin-7-yl]-piperidin-1-ylmethanone is O=C(c1ccc2ccnc(N3CCN(c4ccccc4)CC3)c2c1)N1CCCCC1.
What is the InChIKey of [1-(4-phenylpiperazin-1-yl)isoquinolin-7-yl]-piperidin-1-ylmethanone?
The InChIKey is MZQMWOGIWPCIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O/c30-25(29-13-5-2-6-14-29)21-10-9-20-11-12-26-24(23(20)19-21)28-17-15-27(16-18-28)22-7-3-1-4-8-22/h1,3-4,7-12,19H,2,5-6,13-18H2.
What are the key properties of [1-(4-phenylpiperazin-1-yl)isoquinolin-7-yl]-piperidin-1-ylmethanone?
[1-(4-phenylpiperazin-1-yl)isoquinolin-7-yl]-piperidin-1-ylmethanone has a molecular weight of 400.53 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-phenylpiperazin-1-yl)isoquinolin-7-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 53010054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).