2-[(1R)-cyclopent-2-en-1-yl]-1-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]ethanone

C16H24N2O2 — CID 99705972

IUPAC2-[(1R)-cyclopent-2-en-1-yl]-1-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]ethanone
SMILESO=C(C[C@@H]1C=CCC1)N1CCCN(C(=O)C2CC2)CC1
InChIInChI=1S/C16H24N2O2/c19-15(12-13-4-1-2-5-13)17-8-3-9-18(11-10-17)16(20)14-6-7-14/h1,4,13-14H,2-3,5-12H2/t13-/m1/s1
InChIKeyFMETXKMXHZSSIP-CYBMUJFWSA-N
MW276.38 g/mol
LogP1.81
Rot. Bonds3

About 2-[(1R)-cyclopent-2-en-1-yl]-1-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]ethanone

2-[(1R)-cyclopent-2-en-1-yl]-1-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]ethanone (PubChem CID 99705972) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-[(1R)-cyclopent-2-en-1-yl]-1-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]ethanone.

Molecular Properties

Compound Name2-[(1R)-cyclopent-2-en-1-yl]-1-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]ethanone
PubChem CID99705972
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-[(1R)-cyclopent-2-en-1-yl]-1-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]ethanone
SMILESO=C(C[C@@H]1C=CCC1)N1CCCN(C(=O)C2CC2)CC1
InChIInChI=1S/C16H24N2O2/c19-15(12-13-4-1-2-5-13)17-8-3-9-18(11-10-17)16(20)14-6-7-14/h1,4,13-14H,2-3,5-12H2/t13-/m1/s1
InChIKeyFMETXKMXHZSSIP-CYBMUJFWSA-N
XLogP1.81
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(1R)-cyclopent-2-en-1-yl]-1-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]ethanone with MolForge

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Related Compounds

2-[(1S)-cyclopent-2-en-1-yl]-1-[4-(2-methoxyacetyl)-1,4-diazepan-1-yl]ethanone
CID 95218372
2-[(1R)-cyclopent-2-en-1-yl]-1-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]ethanone
CID 95341116
2-[(1R)-cyclopent-2-en-1-yl]-1-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]ethanone
CID 100844187
1-(3-aminopiperidin-1-yl)-2-cyclopent-2-en-1-ylethanone
CID 61297208
2-[(1S)-cyclopent-2-en-1-yl]-1-[4-(fluoromethyl)piperidin-1-yl]ethanone
CID 129348527
methyl 1-(2-cyclopent-2-en-1-ylacetyl)piperidine-3-carboxylate
CID 78919267
2-[(1R)-cyclopent-2-en-1-yl]-1-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]ethanone
CID 95325711
2-[(1R)-cyclopent-2-en-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 39965110
2-cyclopent-2-en-1-yl-1-[4-[2-(3-fluorophenyl)acetyl]-1,4-diazepan-1-yl]ethanone
CID 71979323
2-cyclopent-2-en-1-yl-1-[4-(methylaminomethyl)piperidin-1-yl]ethanone
CID 63248758
1-[4-(cyclobutanecarbonyl)-1,4-diazepan-1-yl]propan-1-one
CID 110796478
(2R)-1-(2-cyclopent-2-en-1-ylacetyl)piperidine-2-carboxylic acid
CID 79034852

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-cyclopent-2-en-1-yl]-1-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]ethanone?
The IUPAC name of 2-[(1R)-cyclopent-2-en-1-yl]-1-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]ethanone (CID 99705972) is 2-[(1R)-cyclopent-2-en-1-yl]-1-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]ethanone.
What is the SMILES notation for 2-[(1R)-cyclopent-2-en-1-yl]-1-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]ethanone?
The canonical SMILES for 2-[(1R)-cyclopent-2-en-1-yl]-1-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]ethanone is O=C(C[C@@H]1C=CCC1)N1CCCN(C(=O)C2CC2)CC1.
What is the InChIKey of 2-[(1R)-cyclopent-2-en-1-yl]-1-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]ethanone?
The InChIKey is FMETXKMXHZSSIP-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H24N2O2/c19-15(12-13-4-1-2-5-13)17-8-3-9-18(11-10-17)16(20)14-6-7-14/h1,4,13-14H,2-3,5-12H2/t13-/m1/s1.
What are the key properties of 2-[(1R)-cyclopent-2-en-1-yl]-1-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]ethanone?
2-[(1R)-cyclopent-2-en-1-yl]-1-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]ethanone has a molecular weight of 276.38 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-cyclopent-2-en-1-yl]-1-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]ethanone is sourced from PubChem (CID 99705972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).