(2-chlorophenyl)-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone

C23H28ClN3O2 — CID 25288079

IUPAC(2-chlorophenyl)-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone
SMILESCOc1ccccc1N1CCN([C@H]2CCCN(C(=O)c3ccccc3Cl)C2)CC1
InChIInChI=1S/C23H28ClN3O2/c1-29-22-11-5-4-10-21(22)26-15-13-25(14-16-26)18-7-6-12-27(17-18)23(28)19-8-2-3-9-20(19)24/h2-5,8-11,18H,6-7,12-17H2,1H3/t18-/m0/s1
InChIKeyRTFHRWIVSMUJEU-SFHVURJKSA-N
MW413.95 g/mol
LogP3.78
Rot. Bonds4

About (2-chlorophenyl)-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone

(2-chlorophenyl)-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone (PubChem CID 25288079) has the molecular formula C23H28ClN3O2 and a molecular weight of 413.95 g/mol. Its IUPAC name is (2-chlorophenyl)-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-chlorophenyl)-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone
PubChem CID25288079
Molecular FormulaC23H28ClN3O2
Molecular Weight413.95 g/mol
Exact Mass413.19
IUPAC Name(2-chlorophenyl)-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone
SMILESCOc1ccccc1N1CCN([C@H]2CCCN(C(=O)c3ccccc3Cl)C2)CC1
InChIInChI=1S/C23H28ClN3O2/c1-29-22-11-5-4-10-21(22)26-15-13-25(14-16-26)18-7-6-12-27(17-18)23(28)19-8-2-3-9-20(19)24/h2-5,8-11,18H,6-7,12-17H2,1H3/t18-/m0/s1
InChIKeyRTFHRWIVSMUJEU-SFHVURJKSA-N
XLogP3.78
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.95
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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
cyclobutyl-[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone
CID 24719059
(2-chlorophenyl)-[(3R)-3-[4-(4-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone
CID 42094356
cyclohexyl-[(3R)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone
CID 42567976
[(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
(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
[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-(6-methylquinolin-4-yl)methanone
CID 24793253
[3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
CID 45251297
[3-(4-phenylpiperazin-1-yl)piperidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone
CID 45181952

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone?
The IUPAC name of (2-chlorophenyl)-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone (CID 25288079) is (2-chlorophenyl)-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (2-chlorophenyl)-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone?
The canonical SMILES for (2-chlorophenyl)-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone is COc1ccccc1N1CCN([C@H]2CCCN(C(=O)c3ccccc3Cl)C2)CC1.
What is the InChIKey of (2-chlorophenyl)-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone?
The InChIKey is RTFHRWIVSMUJEU-SFHVURJKSA-N. The full InChI is InChI=1S/C23H28ClN3O2/c1-29-22-11-5-4-10-21(22)26-15-13-25(14-16-26)18-7-6-12-27(17-18)23(28)19-8-2-3-9-20(19)24/h2-5,8-11,18H,6-7,12-17H2,1H3/t18-/m0/s1.
What are the key properties of (2-chlorophenyl)-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone?
(2-chlorophenyl)-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone has a molecular weight of 413.95 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl)-[(3S)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 25288079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).