(4-methylpiperidin-1-yl)-[1-(4-phenylpiperazin-1-yl)isoquinolin-7-yl]methanone

C26H30N4O — CID 53035343

IUPAC(4-methylpiperidin-1-yl)-[1-(4-phenylpiperazin-1-yl)isoquinolin-7-yl]methanone
SMILESCC1CCN(C(=O)c2ccc3ccnc(N4CCN(c5ccccc5)CC4)c3c2)CC1
InChIInChI=1S/C26H30N4O/c1-20-10-13-30(14-11-20)26(31)22-8-7-21-9-12-27-25(24(21)19-22)29-17-15-28(16-18-29)23-5-3-2-4-6-23/h2-9,12,19-20H,10-11,13-18H2,1H3
InChIKeyUGBUHVBOANNMCH-UHFFFAOYSA-N
MW414.55 g/mol
LogP4.43
Rot. Bonds3

About (4-methylpiperidin-1-yl)-[1-(4-phenylpiperazin-1-yl)isoquinolin-7-yl]methanone

(4-methylpiperidin-1-yl)-[1-(4-phenylpiperazin-1-yl)isoquinolin-7-yl]methanone (PubChem CID 53035343) has the molecular formula C26H30N4O and a molecular weight of 414.55 g/mol. Its IUPAC name is (4-methylpiperidin-1-yl)-[1-(4-phenylpiperazin-1-yl)isoquinolin-7-yl]methanone.

Molecular Properties

Compound Name(4-methylpiperidin-1-yl)-[1-(4-phenylpiperazin-1-yl)isoquinolin-7-yl]methanone
PubChem CID53035343
Molecular FormulaC26H30N4O
Molecular Weight414.55 g/mol
Exact Mass414.24
IUPAC Name(4-methylpiperidin-1-yl)-[1-(4-phenylpiperazin-1-yl)isoquinolin-7-yl]methanone
SMILESCC1CCN(C(=O)c2ccc3ccnc(N4CCN(c5ccccc5)CC4)c3c2)CC1
InChIInChI=1S/C26H30N4O/c1-20-10-13-30(14-11-20)26(31)22-8-7-21-9-12-27-25(24(21)19-22)29-17-15-28(16-18-29)23-5-3-2-4-6-23/h2-9,12,19-20H,10-11,13-18H2,1H3
InChIKeyUGBUHVBOANNMCH-UHFFFAOYSA-N
XLogP4.43
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4-methylpiperidin-1-yl)-[1-(4-phenylpiperazin-1-yl)isoquinolin-7-yl]methanone with MolForge

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Related Compounds

[1-(4-phenylpiperazin-1-yl)isoquinolin-7-yl]-piperidin-1-ylmethanone
CID 53010054
azepan-1-yl-[1-[4-(4-methoxyphenyl)piperazin-1-yl]isoquinolin-7-yl]methanone
CID 53102246
[1-[4-(4-methoxyphenyl)piperazin-1-yl]isoquinolin-7-yl]-morpholin-4-ylmethanone
CID 53010018
[1-[4-(4-chlorophenyl)piperazin-1-yl]isoquinolin-7-yl]-(4-propylpiperazin-1-yl)methanone
CID 53102305
(4-methylpiperidin-1-yl)-[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]methanone
CID 1137062
1-pyrrolidin-1-ylisoquinoline-7-carboxylic acid
CID 82571132
N-[(3R)-3-(azepan-1-yl)butyl]-1-(4-phenylpiperazin-1-yl)isoquinoline-7-carboxamide
CID 95082723
N-[(3-methoxyphenyl)methyl]-1-(4-phenylpiperazin-1-yl)isoquinoline-7-carboxamide
CID 53102427
(4-benzylpiperidin-1-yl)-[4-(4-methylpiperidin-1-yl)-2-pyridinyl]methanone
CID 109205317
[4-(3-chlorophenyl)piperazin-1-yl]-[2-(4-methylpiperidin-1-yl)-4-pyridinyl]methanone
CID 109166494
[4-(4-benzylpiperidin-1-yl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109205137
(2-amino-4-pyridinyl)-(4-methylpiperidin-1-yl)methanone
CID 62155864

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperidin-1-yl)-[1-(4-phenylpiperazin-1-yl)isoquinolin-7-yl]methanone?
The IUPAC name of (4-methylpiperidin-1-yl)-[1-(4-phenylpiperazin-1-yl)isoquinolin-7-yl]methanone (CID 53035343) is (4-methylpiperidin-1-yl)-[1-(4-phenylpiperazin-1-yl)isoquinolin-7-yl]methanone.
What is the SMILES notation for (4-methylpiperidin-1-yl)-[1-(4-phenylpiperazin-1-yl)isoquinolin-7-yl]methanone?
The canonical SMILES for (4-methylpiperidin-1-yl)-[1-(4-phenylpiperazin-1-yl)isoquinolin-7-yl]methanone is CC1CCN(C(=O)c2ccc3ccnc(N4CCN(c5ccccc5)CC4)c3c2)CC1.
What is the InChIKey of (4-methylpiperidin-1-yl)-[1-(4-phenylpiperazin-1-yl)isoquinolin-7-yl]methanone?
The InChIKey is UGBUHVBOANNMCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O/c1-20-10-13-30(14-11-20)26(31)22-8-7-21-9-12-27-25(24(21)19-22)29-17-15-28(16-18-29)23-5-3-2-4-6-23/h2-9,12,19-20H,10-11,13-18H2,1H3.
What are the key properties of (4-methylpiperidin-1-yl)-[1-(4-phenylpiperazin-1-yl)isoquinolin-7-yl]methanone?
(4-methylpiperidin-1-yl)-[1-(4-phenylpiperazin-1-yl)isoquinolin-7-yl]methanone has a molecular weight of 414.55 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperidin-1-yl)-[1-(4-phenylpiperazin-1-yl)isoquinolin-7-yl]methanone is sourced from PubChem (CID 53035343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).