[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-(6-methylquinolin-4-yl)methanone

C27H32N4O2 — CID 24793253

IUPAC[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-(6-methylquinolin-4-yl)methanone
SMILESCOc1ccccc1N1CCN(C2CCCN(C(=O)c3ccnc4ccc(C)cc34)C2)CC1
InChIInChI=1S/C27H32N4O2/c1-20-9-10-24-23(18-20)22(11-12-28-24)27(32)31-13-5-6-21(19-31)29-14-16-30(17-15-29)25-7-3-4-8-26(25)33-2/h3-4,7-12,18,21H,5-6,13-17,19H2,1-2H3
InChIKeyMZACRUMRLLLMJX-UHFFFAOYSA-N
MW444.58 g/mol
LogP3.98
Rot. Bonds4

About [3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-(6-methylquinolin-4-yl)methanone

[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-(6-methylquinolin-4-yl)methanone (PubChem CID 24793253) has the molecular formula C27H32N4O2 and a molecular weight of 444.58 g/mol. Its IUPAC name is [3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-(6-methylquinolin-4-yl)methanone.

Molecular Properties

Compound Name[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-(6-methylquinolin-4-yl)methanone
PubChem CID24793253
Molecular FormulaC27H32N4O2
Molecular Weight444.58 g/mol
Exact Mass444.25
IUPAC Name[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-(6-methylquinolin-4-yl)methanone
SMILESCOc1ccccc1N1CCN(C2CCCN(C(=O)c3ccnc4ccc(C)cc34)C2)CC1
InChIInChI=1S/C27H32N4O2/c1-20-9-10-24-23(18-20)22(11-12-28-24)27(32)31-13-5-6-21(19-31)29-14-16-30(17-15-29)25-7-3-4-8-26(25)33-2/h3-4,7-12,18,21H,5-6,13-17,19H2,1-2H3
InChIKeyMZACRUMRLLLMJX-UHFFFAOYSA-N
XLogP3.98
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.58
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-chlorophenyl)-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone
CID 25288079
(1,5-dimethylpyrazol-3-yl)-[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone
CID 45181195
[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 45236764
1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]ethanone
CID 24719056
[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]-(2-methoxyphenyl)methanone
CID 45187407
[3-(4-phenylpiperazin-1-yl)piperidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone
CID 45181952
cyclobutyl-[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone
CID 24719059
cyclohexyl-[(3R)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone
CID 42567976
N-(4-methoxy-2-methylphenyl)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidine-1-carboxamide
CID 45194231
[(3R)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone
CID 42101485
[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-(1-methylpiperidin-4-yl)methanone
CID 45175750
(3-pyrrolidin-1-ylpiperidin-1-yl)-(2,3,4-trimethoxyphenyl)methanone
CID 60559089

Frequently Asked Questions

What is the IUPAC name of [3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-(6-methylquinolin-4-yl)methanone?
The IUPAC name of [3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-(6-methylquinolin-4-yl)methanone (CID 24793253) is [3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-(6-methylquinolin-4-yl)methanone.
What is the SMILES notation for [3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-(6-methylquinolin-4-yl)methanone?
The canonical SMILES for [3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-(6-methylquinolin-4-yl)methanone is COc1ccccc1N1CCN(C2CCCN(C(=O)c3ccnc4ccc(C)cc34)C2)CC1.
What is the InChIKey of [3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-(6-methylquinolin-4-yl)methanone?
The InChIKey is MZACRUMRLLLMJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O2/c1-20-9-10-24-23(18-20)22(11-12-28-24)27(32)31-13-5-6-21(19-31)29-14-16-30(17-15-29)25-7-3-4-8-26(25)33-2/h3-4,7-12,18,21H,5-6,13-17,19H2,1-2H3.
What are the key properties of [3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-(6-methylquinolin-4-yl)methanone?
[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-(6-methylquinolin-4-yl)methanone has a molecular weight of 444.58 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-(6-methylquinolin-4-yl)methanone is sourced from PubChem (CID 24793253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).