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

C18H29N3O2 — CID 94628026

IUPAC1-[1-[(1R,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]piperidin-4-yl]imidazolidin-2-one
SMILESCC(C)=C[C@H]1[C@@H](C(=O)N2CCC(N3CCNC3=O)CC2)C1(C)C
InChIInChI=1S/C18H29N3O2/c1-12(2)11-14-15(18(14,3)4)16(22)20-8-5-13(6-9-20)21-10-7-19-17(21)23/h11,13-15H,5-10H2,1-4H3,(H,19,23)/t14-,15-/m0/s1
InChIKeyYJSKFOUTDOZWOL-GJZGRUSLSA-N
MW319.45 g/mol
LogP2.24
Rot. Bonds3

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

1-[1-[(1R,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]piperidin-4-yl]imidazolidin-2-one (PubChem CID 94628026) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is 1-[1-[(1R,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]piperidin-4-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[1-[(1R,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]piperidin-4-yl]imidazolidin-2-one
PubChem CID94628026
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Name1-[1-[(1R,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]piperidin-4-yl]imidazolidin-2-one
SMILESCC(C)=C[C@H]1[C@@H](C(=O)N2CCC(N3CCNC3=O)CC2)C1(C)C
InChIInChI=1S/C18H29N3O2/c1-12(2)11-14-15(18(14,3)4)16(22)20-8-5-13(6-9-20)21-10-7-19-17(21)23/h11,13-15H,5-10H2,1-4H3,(H,19,23)/t14-,15-/m0/s1
InChIKeyYJSKFOUTDOZWOL-GJZGRUSLSA-N
XLogP2.24
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.24
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

1-[4-[2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]piperazin-1-yl]ethanone
CID 42930403
2-[1-[(1S,3R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]piperidin-4-yl]acetamide
CID 95567679
N-[[1-[(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]piperidin-4-yl]methyl]acetamide
CID 94182591
1-[1-(4-aminocyclohexanecarbonyl)piperidin-4-yl]imidazolidin-2-one
CID 60947074
[(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-(2-bromo-2-methylpropanoyl)piperidin-4-yl]imidazolidin-2-one
CID 114328233
1-[1-[(2S,3R)-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carbonyl]piperidin-4-yl]imidazolidin-2-one
CID 94628020
1-[1-[2-(methylamino)acetyl]piperidin-4-yl]imidazolidin-2-one
CID 54872430
[(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
[(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropyl]-[4-(furan-3-carbonyl)piperazin-1-yl]methanone
CID 32534550
1-[1-(4-methoxypyrrolidine-2-carbonyl)piperidin-4-yl]imidazolidin-2-one
CID 61213921

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(1R,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]piperidin-4-yl]imidazolidin-2-one?
The IUPAC name of 1-[1-[(1R,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]piperidin-4-yl]imidazolidin-2-one (CID 94628026) is 1-[1-[(1R,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]piperidin-4-yl]imidazolidin-2-one.
What is the SMILES notation for 1-[1-[(1R,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]piperidin-4-yl]imidazolidin-2-one?
The canonical SMILES for 1-[1-[(1R,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]piperidin-4-yl]imidazolidin-2-one is CC(C)=C[C@H]1[C@@H](C(=O)N2CCC(N3CCNC3=O)CC2)C1(C)C.
What is the InChIKey of 1-[1-[(1R,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]piperidin-4-yl]imidazolidin-2-one?
The InChIKey is YJSKFOUTDOZWOL-GJZGRUSLSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-12(2)11-14-15(18(14,3)4)16(22)20-8-5-13(6-9-20)21-10-7-19-17(21)23/h11,13-15H,5-10H2,1-4H3,(H,19,23)/t14-,15-/m0/s1.
What are the key properties of 1-[1-[(1R,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]piperidin-4-yl]imidazolidin-2-one?
1-[1-[(1R,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]piperidin-4-yl]imidazolidin-2-one has a molecular weight of 319.45 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(1R,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarbonyl]piperidin-4-yl]imidazolidin-2-one is sourced from PubChem (CID 94628026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).