[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-(1-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)methanone

C22H30N2O4 — CID 138387047

IUPAC[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-(1-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)methanone
SMILESCCC12CC1CN(C(=O)C1CCN(C(=O)c3cc(OC)cc(OC)c3)CC1)C2
InChIInChI=1S/C22H30N2O4/c1-4-22-12-17(22)13-24(14-22)20(25)15-5-7-23(8-6-15)21(26)16-9-18(27-2)11-19(10-16)28-3/h9-11,15,17H,4-8,12-14H2,1-3H3
InChIKeyPNZAZYCMVKTKPZ-UHFFFAOYSA-N
MW386.49 g/mol
LogP2.81
Rot. Bonds5

About [1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-(1-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)methanone

[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-(1-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)methanone (PubChem CID 138387047) has the molecular formula C22H30N2O4 and a molecular weight of 386.49 g/mol. Its IUPAC name is [1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-(1-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)methanone.

Molecular Properties

Compound Name[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-(1-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)methanone
PubChem CID138387047
Molecular FormulaC22H30N2O4
Molecular Weight386.49 g/mol
Exact Mass386.22
IUPAC Name[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-(1-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)methanone
SMILESCCC12CC1CN(C(=O)C1CCN(C(=O)c3cc(OC)cc(OC)c3)CC1)C2
InChIInChI=1S/C22H30N2O4/c1-4-22-12-17(22)13-24(14-22)20(25)15-5-7-23(8-6-15)21(26)16-9-18(27-2)11-19(10-16)28-3/h9-11,15,17H,4-8,12-14H2,1-3H3
InChIKeyPNZAZYCMVKTKPZ-UHFFFAOYSA-N
XLogP2.81
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.49
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-(1-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)methanone with MolForge

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Related Compounds

[(3aS,7R,7aR)-7-ethyl-7-hydroxy-3,3a,4,5,6,7a-hexahydro-1H-isoindol-2-yl]-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]methanone
CID 135101894
[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 55886208
1-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]propan-1-one
CID 32823717
[1-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 42693463
[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 55719269
N-cyclopropyl-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide
CID 113002527
1-(3,5-dimethoxybenzoyl)-N-[2-(ethylamino)ethyl]piperidine-4-carboxamide
CID 119507447
[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 52612498
(3-aminopyrrolidin-1-yl)-(3,5-dimethoxyphenyl)methanone;hydrochloride
CID 119482519
1-(3,5-dimethoxybenzoyl)-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 46471462
N-[(2S)-1-aminopropan-2-yl]-1-(3,5-dimethoxybenzoyl)piperidine-4-carboxamide;hydrochloride
CID 120505350
1-(3,5-dimethoxybenzoyl)-N-(2-ethylphenyl)piperidine-4-carboxamide
CID 113006606

Frequently Asked Questions

What is the IUPAC name of [1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-(1-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)methanone?
The IUPAC name of [1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-(1-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)methanone (CID 138387047) is [1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-(1-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)methanone.
What is the SMILES notation for [1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-(1-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)methanone?
The canonical SMILES for [1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-(1-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)methanone is CCC12CC1CN(C(=O)C1CCN(C(=O)c3cc(OC)cc(OC)c3)CC1)C2.
What is the InChIKey of [1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-(1-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)methanone?
The InChIKey is PNZAZYCMVKTKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O4/c1-4-22-12-17(22)13-24(14-22)20(25)15-5-7-23(8-6-15)21(26)16-9-18(27-2)11-19(10-16)28-3/h9-11,15,17H,4-8,12-14H2,1-3H3.
What are the key properties of [1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-(1-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)methanone?
[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-(1-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)methanone has a molecular weight of 386.49 g/mol, XLogP of 2.81, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-(1-ethyl-3-azabicyclo[3.1.0]hexan-3-yl)methanone is sourced from PubChem (CID 138387047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).