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

C20H32N2O3 — CID 94609029

IUPAC[(3S)-1-[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]piperidin-3-yl]-morpholin-4-ylmethanone
SMILESCC(C)=C[C@@H]1[C@@H](C(=O)N2CCC[C@H](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/t15-,16+,17-/m0/s1
InChIKeyKHPWVRNTGNZMIP-BBWFWOEESA-N
MW348.49 g/mol
LogP2.32
Rot. Bonds3

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

[(3S)-1-[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]piperidin-3-yl]-morpholin-4-ylmethanone (PubChem CID 94609029) has the molecular formula C20H32N2O3 and a molecular weight of 348.49 g/mol. Its IUPAC name is [(3S)-1-[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]piperidin-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[(3S)-1-[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]piperidin-3-yl]-morpholin-4-ylmethanone
PubChem CID94609029
Molecular FormulaC20H32N2O3
Molecular Weight348.49 g/mol
Exact Mass348.24
IUPAC Name[(3S)-1-[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]piperidin-3-yl]-morpholin-4-ylmethanone
SMILESCC(C)=C[C@@H]1[C@@H](C(=O)N2CCC[C@H](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/t15-,16+,17-/m0/s1
InChIKeyKHPWVRNTGNZMIP-BBWFWOEESA-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

[(3R)-1-[(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 100838496
1-[4-[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]piperazin-1-yl]ethanone
CID 42930403
(2S)-4-[(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]morpholine-2-carboxamide
CID 94371199
[(3R)-1-methylpiperidin-3-yl]-morpholin-4-ylmethanone
CID 95907299
[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]-[(3S)-3-(1,2,4-triazol-1-yl)piperidin-1-yl]methanone
CID 95736438
[(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]-[(3R)-3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone
CID 100879654
(2S)-2-amino-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one;hydrochloride
CID 119277058
[3-(4-cyclopropyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)piperidin-1-yl]-[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]methanone
CID 102556929
2-[1-[(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]piperidin-4-yl]acetamide
CID 95567679
morpholin-4-yl-[1-(piperidine-2-carbonyl)piperidin-3-yl]methanone
CID 119277055
cyclopentyl-[(3R)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]methanone
CID 95051296
[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]-[(2S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
CID 129328047

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]piperidin-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [(3S)-1-[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]piperidin-3-yl]-morpholin-4-ylmethanone (CID 94609029) is [(3S)-1-[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]piperidin-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [(3S)-1-[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]piperidin-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [(3S)-1-[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]piperidin-3-yl]-morpholin-4-ylmethanone is CC(C)=C[C@@H]1[C@@H](C(=O)N2CCC[C@H](C(=O)N3CCOCC3)C2)C1(C)C.
What is the InChIKey of [(3S)-1-[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]piperidin-3-yl]-morpholin-4-ylmethanone?
The InChIKey is KHPWVRNTGNZMIP-BBWFWOEESA-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/t15-,16+,17-/m0/s1.
What are the key properties of [(3S)-1-[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]piperidin-3-yl]-morpholin-4-ylmethanone?
[(3S)-1-[(1R,3R)-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 [(3S)-1-[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]piperidin-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 94609029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).