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

C17H28N2O2 — CID 95567679

IUPAC2-[1-[(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]piperidin-4-yl]acetamide
SMILESCC(C)=C[C@@H]1[C@H](C(=O)N2CCC(CC(N)=O)CC2)C1(C)C
InChIInChI=1S/C17H28N2O2/c1-11(2)9-13-15(17(13,3)4)16(21)19-7-5-12(6-8-19)10-14(18)20/h9,12-13,15H,5-8,10H2,1-4H3,(H2,18,20)/t13-,15-/m1/s1
InChIKeyICPFYYRJLGFCQJ-UKRRQHHQSA-N
MW292.42 g/mol
LogP2.34
Rot. Bonds4

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

2-[1-[(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]piperidin-4-yl]acetamide (PubChem CID 95567679) has the molecular formula C17H28N2O2 and a molecular weight of 292.42 g/mol. Its IUPAC name is 2-[1-[(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-[1-[(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]piperidin-4-yl]acetamide
PubChem CID95567679
Molecular FormulaC17H28N2O2
Molecular Weight292.42 g/mol
Exact Mass292.22
IUPAC Name2-[1-[(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]piperidin-4-yl]acetamide
SMILESCC(C)=C[C@@H]1[C@H](C(=O)N2CCC(CC(N)=O)CC2)C1(C)C
InChIInChI=1S/C17H28N2O2/c1-11(2)9-13-15(17(13,3)4)16(21)19-7-5-12(6-8-19)10-14(18)20/h9,12-13,15H,5-8,10H2,1-4H3,(H2,18,20)/t13-,15-/m1/s1
InChIKeyICPFYYRJLGFCQJ-UKRRQHHQSA-N
XLogP2.34
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-[(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]piperidin-4-yl]methyl]acetamide
CID 94182591
1-[4-[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]piperazin-1-yl]ethanone
CID 42930403
[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]methanone
CID 98786472
1-[1-[(1R,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]piperidin-4-yl]imidazolidin-2-one
CID 94628026
(2S)-4-[(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]morpholine-2-carboxamide
CID 94371199
[(3R)-1-[(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 100838496
[(3S)-1-[(1R,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 94609029
[(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]-[(3R)-3-(2H-tetrazol-5-yl)piperidin-1-yl]methanone
CID 100879654
[(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]-[4-(2-hydroxybenzoyl)piperazin-1-yl]methanone
CID 52532257
[(1R,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]-[4-(2-hydroxybenzoyl)piperazin-1-yl]methanone
CID 52532259
2-[1-(4-methylpyrrolidine-3-carbonyl)piperidin-4-yl]acetamide
CID 55228818
[(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]-[4-(furan-3-carbonyl)piperazin-1-yl]methanone
CID 32534550

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]piperidin-4-yl]acetamide?
The IUPAC name of 2-[1-[(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]piperidin-4-yl]acetamide (CID 95567679) is 2-[1-[(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-[1-[(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-[1-[(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]piperidin-4-yl]acetamide is CC(C)=C[C@@H]1[C@H](C(=O)N2CCC(CC(N)=O)CC2)C1(C)C.
What is the InChIKey of 2-[1-[(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]piperidin-4-yl]acetamide?
The InChIKey is ICPFYYRJLGFCQJ-UKRRQHHQSA-N. The full InChI is InChI=1S/C17H28N2O2/c1-11(2)9-13-15(17(13,3)4)16(21)19-7-5-12(6-8-19)10-14(18)20/h9,12-13,15H,5-8,10H2,1-4H3,(H2,18,20)/t13-,15-/m1/s1.
What are the key properties of 2-[1-[(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]piperidin-4-yl]acetamide?
2-[1-[(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]piperidin-4-yl]acetamide has a molecular weight of 292.42 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 95567679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).