[3-methyl-4-[4-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]phenyl]cyclohex-3-en-1-yl]-pyrrolidin-1-ylmethanone

C29H40N4O3 — CID 123816313

IUPAC[3-methyl-4-[4-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]phenyl]cyclohex-3-en-1-yl]-pyrrolidin-1-ylmethanone
SMILESCC1=C(c2ccc(OCC3CCN(c4nc(C(C)C)no4)CC3)cc2)CCC(C(=O)N2CCCC2)C1
InChIInChI=1S/C29H40N4O3/c1-20(2)27-30-29(36-31-27)33-16-12-22(13-17-33)19-35-25-9-6-23(7-10-25)26-11-8-24(18-21(26)3)28(34)32-14-4-5-15-32/h6-7,9-10,20,22,24H,4-5,8,11-19H2,1-3H3
InChIKeyQGNXSJBNQMXEFS-UHFFFAOYSA-N
MW492.66 g/mol
LogP5.68
Rot. Bonds7

About [3-methyl-4-[4-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]phenyl]cyclohex-3-en-1-yl]-pyrrolidin-1-ylmethanone

[3-methyl-4-[4-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]phenyl]cyclohex-3-en-1-yl]-pyrrolidin-1-ylmethanone (PubChem CID 123816313) has the molecular formula C29H40N4O3 and a molecular weight of 492.66 g/mol. Its IUPAC name is [3-methyl-4-[4-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]phenyl]cyclohex-3-en-1-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[3-methyl-4-[4-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]phenyl]cyclohex-3-en-1-yl]-pyrrolidin-1-ylmethanone
PubChem CID123816313
Molecular FormulaC29H40N4O3
Molecular Weight492.66 g/mol
Exact Mass492.31
IUPAC Name[3-methyl-4-[4-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]phenyl]cyclohex-3-en-1-yl]-pyrrolidin-1-ylmethanone
SMILESCC1=C(c2ccc(OCC3CCN(c4nc(C(C)C)no4)CC3)cc2)CCC(C(=O)N2CCCC2)C1
InChIInChI=1S/C29H40N4O3/c1-20(2)27-30-29(36-31-27)33-16-12-22(13-17-33)19-35-25-9-6-23(7-10-25)26-11-8-24(18-21(26)3)28(34)32-14-4-5-15-32/h6-7,9-10,20,22,24H,4-5,8,11-19H2,1-3H3
InChIKeyQGNXSJBNQMXEFS-UHFFFAOYSA-N
XLogP5.68
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.66
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [3-methyl-4-[4-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]phenyl]cyclohex-3-en-1-yl]-pyrrolidin-1-ylmethanone with MolForge

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Launch Full Analysis

Related Compounds

(3-hydroxyazetidin-1-yl)-[4-[4-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]phenyl]cyclohex-3-en-1-yl]methanone
CID 123328287
1-[4-[4-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]phenyl]cyclohex-3-ene-1-carbonyl]piperidine-4-carbonitrile
CID 123936551
[3-(dimethylamino)pyrrolidin-1-yl]-[4-[4-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]phenyl]cyclohex-3-en-1-yl]methanone;hydrochloride
CID 126640234
azetidin-1-yl-[4-[3-fluoro-4-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]phenyl]cyclohex-3-en-1-yl]methanone
CID 129104893
[2-(hydroxymethyl)pyrrolidin-1-yl]-[4-[4-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]phenyl]cyclohex-3-en-1-yl]methanone
CID 123629947
morpholin-4-yl-[4-[6-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]-3-pyridinyl]cyclohex-3-en-1-yl]methanone
CID 129104922
2-piperidin-1-yl-N-[4-[4-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]phenyl]phenyl]sulfanylethanamine;2,2,2-trifluoroacetic acid
CID 143689761
3-[methyl-[4-[4-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]phenyl]cyclohex-3-ene-1-carbonyl]amino]propylcarbamic acid
CID 146418194
(4-cyclopropylpiperazin-1-yl)-[4-[3-fluoro-4-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]phenyl]cyclohex-3-en-1-yl]methanone
CID 129104866
[4-[3-fluoro-4-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]phenyl]cyclohex-3-en-1-yl]-[(3S)-3-fluoropyrrolidin-1-yl]methanone
CID 126640270
4-[3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]propoxy]benzoic acid
CID 59161816
N-(3-hydroxypropyl)-4-[5-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]-2-pyridinyl]cyclohex-3-ene-1-carboxamide
CID 123145547

Frequently Asked Questions

What is the IUPAC name of [3-methyl-4-[4-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]phenyl]cyclohex-3-en-1-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [3-methyl-4-[4-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]phenyl]cyclohex-3-en-1-yl]-pyrrolidin-1-ylmethanone (CID 123816313) is [3-methyl-4-[4-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]phenyl]cyclohex-3-en-1-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [3-methyl-4-[4-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]phenyl]cyclohex-3-en-1-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [3-methyl-4-[4-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]phenyl]cyclohex-3-en-1-yl]-pyrrolidin-1-ylmethanone is CC1=C(c2ccc(OCC3CCN(c4nc(C(C)C)no4)CC3)cc2)CCC(C(=O)N2CCCC2)C1.
What is the InChIKey of [3-methyl-4-[4-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]phenyl]cyclohex-3-en-1-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is QGNXSJBNQMXEFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H40N4O3/c1-20(2)27-30-29(36-31-27)33-16-12-22(13-17-33)19-35-25-9-6-23(7-10-25)26-11-8-24(18-21(26)3)28(34)32-14-4-5-15-32/h6-7,9-10,20,22,24H,4-5,8,11-19H2,1-3H3.
What are the key properties of [3-methyl-4-[4-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]phenyl]cyclohex-3-en-1-yl]-pyrrolidin-1-ylmethanone?
[3-methyl-4-[4-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]phenyl]cyclohex-3-en-1-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 492.66 g/mol, XLogP of 5.68, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-4-[4-[[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]methoxy]phenyl]cyclohex-3-en-1-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 123816313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).