[3-(4-methoxyphenyl)-4-methylpiperazin-1-yl]-[4-(3-methylphenyl)oxan-4-yl]methanone

C25H32N2O3 — CID 110149470

IUPAC[3-(4-methoxyphenyl)-4-methylpiperazin-1-yl]-[4-(3-methylphenyl)oxan-4-yl]methanone
SMILESCOc1ccc(C2CN(C(=O)C3(c4cccc(C)c4)CCOCC3)CCN2C)cc1
InChIInChI=1S/C25H32N2O3/c1-19-5-4-6-21(17-19)25(11-15-30-16-12-25)24(28)27-14-13-26(2)23(18-27)20-7-9-22(29-3)10-8-20/h4-10,17,23H,11-16,18H2,1-3H3
InChIKeyNULXNUVOLAOPFQ-UHFFFAOYSA-N
MW408.54 g/mol
LogP3.57
Rot. Bonds4

About [3-(4-methoxyphenyl)-4-methylpiperazin-1-yl]-[4-(3-methylphenyl)oxan-4-yl]methanone

[3-(4-methoxyphenyl)-4-methylpiperazin-1-yl]-[4-(3-methylphenyl)oxan-4-yl]methanone (PubChem CID 110149470) has the molecular formula C25H32N2O3 and a molecular weight of 408.54 g/mol. Its IUPAC name is [3-(4-methoxyphenyl)-4-methylpiperazin-1-yl]-[4-(3-methylphenyl)oxan-4-yl]methanone.

Molecular Properties

Compound Name[3-(4-methoxyphenyl)-4-methylpiperazin-1-yl]-[4-(3-methylphenyl)oxan-4-yl]methanone
PubChem CID110149470
Molecular FormulaC25H32N2O3
Molecular Weight408.54 g/mol
Exact Mass408.24
IUPAC Name[3-(4-methoxyphenyl)-4-methylpiperazin-1-yl]-[4-(3-methylphenyl)oxan-4-yl]methanone
SMILESCOc1ccc(C2CN(C(=O)C3(c4cccc(C)c4)CCOCC3)CCN2C)cc1
InChIInChI=1S/C25H32N2O3/c1-19-5-4-6-21(17-19)25(11-15-30-16-12-25)24(28)27-14-13-26(2)23(18-27)20-7-9-22(29-3)10-8-20/h4-10,17,23H,11-16,18H2,1-3H3
InChIKeyNULXNUVOLAOPFQ-UHFFFAOYSA-N
XLogP3.57
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.54
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R)-3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]-[4-(4-methoxyphenyl)oxan-4-yl]methanone
CID 124998730
3-[(2R)-1-acetyl-4-[4-(3-methylphenyl)oxane-4-carbonyl]piperazin-2-yl]-N-methylbenzamide
CID 129458626
1-[(2S)-2-(2-methoxyphenyl)-4-[4-(4-methoxyphenyl)oxane-4-carbonyl]piperazin-1-yl]ethanone
CID 129460072
[(2S)-2-[6-(4-methoxyphenoxy)-2-pyridinyl]morpholin-4-yl]-(4-phenyloxan-4-yl)methanone
CID 124961302
(2R)-N,N,1-trimethyl-4-(4-phenyloxane-4-carbonyl)piperazine-2-carboxamide
CID 124949534
[6-(isoquinolin-8-ylmethyl)-1,4-oxazepan-4-yl]-[4-(3-methylphenyl)oxan-4-yl]methanone
CID 155984439
[1-(3-methoxyphenyl)cyclopropyl]-(4-methylpiperazin-1-yl)methanone
CID 53016820
[2-(4-methylphenyl)morpholin-4-yl]-(4-phenyloxan-4-yl)methanone
CID 121134836
N-(2-cyano-4-methoxyphenyl)-4-(3-methylphenyl)oxane-4-carboxamide
CID 100748457
[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-[1-(3-methylphenyl)cyclobutyl]methanone
CID 79410950
[4-(3-methylphenyl)oxan-4-yl]-[6-(pyrazolo[1,5-a]pyridin-4-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 110149466
[3-[6-(3-methylphenyl)-2-pyridinyl]piperidin-1-yl]-(4-phenyloxan-4-yl)methanone
CID 110149301

Frequently Asked Questions

What is the IUPAC name of [3-(4-methoxyphenyl)-4-methylpiperazin-1-yl]-[4-(3-methylphenyl)oxan-4-yl]methanone?
The IUPAC name of [3-(4-methoxyphenyl)-4-methylpiperazin-1-yl]-[4-(3-methylphenyl)oxan-4-yl]methanone (CID 110149470) is [3-(4-methoxyphenyl)-4-methylpiperazin-1-yl]-[4-(3-methylphenyl)oxan-4-yl]methanone.
What is the SMILES notation for [3-(4-methoxyphenyl)-4-methylpiperazin-1-yl]-[4-(3-methylphenyl)oxan-4-yl]methanone?
The canonical SMILES for [3-(4-methoxyphenyl)-4-methylpiperazin-1-yl]-[4-(3-methylphenyl)oxan-4-yl]methanone is COc1ccc(C2CN(C(=O)C3(c4cccc(C)c4)CCOCC3)CCN2C)cc1.
What is the InChIKey of [3-(4-methoxyphenyl)-4-methylpiperazin-1-yl]-[4-(3-methylphenyl)oxan-4-yl]methanone?
The InChIKey is NULXNUVOLAOPFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O3/c1-19-5-4-6-21(17-19)25(11-15-30-16-12-25)24(28)27-14-13-26(2)23(18-27)20-7-9-22(29-3)10-8-20/h4-10,17,23H,11-16,18H2,1-3H3.
What are the key properties of [3-(4-methoxyphenyl)-4-methylpiperazin-1-yl]-[4-(3-methylphenyl)oxan-4-yl]methanone?
[3-(4-methoxyphenyl)-4-methylpiperazin-1-yl]-[4-(3-methylphenyl)oxan-4-yl]methanone has a molecular weight of 408.54 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-methoxyphenyl)-4-methylpiperazin-1-yl]-[4-(3-methylphenyl)oxan-4-yl]methanone is sourced from PubChem (CID 110149470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).