[1-[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]piperidin-3-yl]-morpholin-4-ylmethanone

C20H32N2O3 — CID 56810886

IUPAC[1-[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]piperidin-3-yl]-morpholin-4-ylmethanone
SMILESCC(C)=CC1C(C(=O)N2CCCC(C(=O)N3CCOCC3)C2)C1(C)C
InChIInChI=1S/C20H32N2O3/c1-14(2)12-16-17(20(16,3)4)19(24)22-7-5-6-15(13-22)18(23)21-8-10-25-11-9-21/h12,15-17H,5-11,13H2,1-4H3
InChIKeyKHPWVRNTGNZMIP-UHFFFAOYSA-N
MW348.49 g/mol
LogP2.32
Rot. Bonds3

About [1-[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]piperidin-3-yl]-morpholin-4-ylmethanone

[1-[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]piperidin-3-yl]-morpholin-4-ylmethanone (PubChem CID 56810886) has the molecular formula C20H32N2O3 and a molecular weight of 348.49 g/mol. Its IUPAC name is [1-[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]piperidin-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]piperidin-3-yl]-morpholin-4-ylmethanone
PubChem CID56810886
Molecular FormulaC20H32N2O3
Molecular Weight348.49 g/mol
Exact Mass348.24
IUPAC Name[1-[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]piperidin-3-yl]-morpholin-4-ylmethanone
SMILESCC(C)=CC1C(C(=O)N2CCCC(C(=O)N3CCOCC3)C2)C1(C)C
InChIInChI=1S/C20H32N2O3/c1-14(2)12-16-17(20(16,3)4)19(24)22-7-5-6-15(13-22)18(23)21-8-10-25-11-9-21/h12,15-17H,5-11,13H2,1-4H3
InChIKeyKHPWVRNTGNZMIP-UHFFFAOYSA-N
XLogP2.32
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

9-(3-Cyclohexen-1-ylcarbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72857269
6-(1-cyclopenten-1-ylcarbonyl)-1-{[(2R*,6S*)-2,6-dimethyl-4-morpholinyl]carbonyl}-6-azaspiro[2.5]octane
CID 45211358
2-(cyclohexen-1-yl)-1-[2-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-6-azaspiro[2.5]octan-6-yl]ethanone
CID 45227699
2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[[4-(2-methylpropyl)morpholin-2-yl]methyl]cyclopropane-1-carboxamide
CID 47016973
9-(Cyclopent-3-ene-1-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 98896146
9-(Cyclopent-3-ene-1-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-1-one
CID 98897214
Ethane;2-methylbut-2-ene;(1-methylpiperidin-3-yl)-morpholin-4-ylmethanone
CID 144279300
[(2R)-6-(cyclopentene-1-carbonyl)-6-azaspiro[2.5]octan-2-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 26347463
[(2S)-6-(cyclopentene-1-carbonyl)-6-azaspiro[2.5]octan-2-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 26347465
cis-(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]cyclopropane-1-carboxamide
CID 39485008
cis-(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-[[(2R)-4-(2-methylpropyl)morpholin-2-yl]methyl]cyclopropane-1-carboxamide
CID 39485009
[2,2-Dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]-morpholin-4-ylmethanone
CID 42924029

Frequently Asked Questions

What is the IUPAC name of [1-[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]piperidin-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]piperidin-3-yl]-morpholin-4-ylmethanone (CID 56810886) is [1-[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]piperidin-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]piperidin-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]piperidin-3-yl]-morpholin-4-ylmethanone is CC(C)=CC1C(C(=O)N2CCCC(C(=O)N3CCOCC3)C2)C1(C)C.
What is the InChIKey of [1-[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]piperidin-3-yl]-morpholin-4-ylmethanone?
The InChIKey is KHPWVRNTGNZMIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2O3/c1-14(2)12-16-17(20(16,3)4)19(24)22-7-5-6-15(13-22)18(23)21-8-10-25-11-9-21/h12,15-17H,5-11,13H2,1-4H3.
What are the key properties of [1-[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]piperidin-3-yl]-morpholin-4-ylmethanone?
[1-[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]piperidin-3-yl]-morpholin-4-ylmethanone has a molecular weight of 348.49 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]piperidin-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 56810886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).