[2-(2-ethylpiperidine-1-carbonyl)cyclopropyl]-(4-methylpiperidin-1-yl)methanone

C18H30N2O2 — CID 109132625

IUPAC[2-(2-ethylpiperidine-1-carbonyl)cyclopropyl]-(4-methylpiperidin-1-yl)methanone
SMILESCCC1CCCCN1C(=O)C1CC1C(=O)N1CCC(C)CC1
InChIInChI=1S/C18H30N2O2/c1-3-14-6-4-5-9-20(14)18(22)16-12-15(16)17(21)19-10-7-13(2)8-11-19/h13-16H,3-12H2,1-2H3
InChIKeyIKQLLSQUTLDMGX-UHFFFAOYSA-N
MW306.45 g/mol
LogP2.67
Rot. Bonds3

About [2-(2-ethylpiperidine-1-carbonyl)cyclopropyl]-(4-methylpiperidin-1-yl)methanone

[2-(2-ethylpiperidine-1-carbonyl)cyclopropyl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 109132625) has the molecular formula C18H30N2O2 and a molecular weight of 306.45 g/mol. Its IUPAC name is [2-(2-ethylpiperidine-1-carbonyl)cyclopropyl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[2-(2-ethylpiperidine-1-carbonyl)cyclopropyl]-(4-methylpiperidin-1-yl)methanone
PubChem CID109132625
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC Name[2-(2-ethylpiperidine-1-carbonyl)cyclopropyl]-(4-methylpiperidin-1-yl)methanone
SMILESCCC1CCCCN1C(=O)C1CC1C(=O)N1CCC(C)CC1
InChIInChI=1S/C18H30N2O2/c1-3-14-6-4-5-9-20(14)18(22)16-12-15(16)17(21)19-10-7-13(2)8-11-19/h13-16H,3-12H2,1-2H3
InChIKeyIKQLLSQUTLDMGX-UHFFFAOYSA-N
XLogP2.67
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-ethylpiperidine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 43213005
(2-ethylpyrrolidin-1-yl)-[(1S,2S)-2-methylcyclopropyl]methanone
CID 130685547
[2-(2-ethylpiperidine-1-carbonyl)cyclopropyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109139231
(5-amino-2-methylcyclohexyl)-(2-ethylpiperidin-1-yl)methanone
CID 55116507
[1-(2-ethylpiperidine-1-carbonyl)cyclopropyl]-(4-methylpiperidin-1-yl)methanone
CID 108972390
cyclohexyl-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 798108
[(2R)-2-ethylpiperidin-1-yl]-[(1S,2R)-2-phenylcyclopropyl]methanone
CID 124714524
4-ethyl-2-[2-(hydroxymethyl)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid
CID 114511445
2-bicyclo[2.2.1]hept-5-enyl-(2-ethylpiperidin-1-yl)methanone
CID 12760884
1-[4-(2-ethylpiperidine-1-carbonyl)piperidin-1-yl]butan-1-one
CID 113005746
7-azabicyclo[2.2.1]heptan-2-yl-(2-ethylazepan-1-yl)methanone
CID 112701878
(2-ethylpiperidin-1-yl)-[2-(4-fluorophenyl)cyclopropyl]methanone
CID 134055510

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethylpiperidine-1-carbonyl)cyclopropyl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [2-(2-ethylpiperidine-1-carbonyl)cyclopropyl]-(4-methylpiperidin-1-yl)methanone (CID 109132625) is [2-(2-ethylpiperidine-1-carbonyl)cyclopropyl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [2-(2-ethylpiperidine-1-carbonyl)cyclopropyl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [2-(2-ethylpiperidine-1-carbonyl)cyclopropyl]-(4-methylpiperidin-1-yl)methanone is CCC1CCCCN1C(=O)C1CC1C(=O)N1CCC(C)CC1.
What is the InChIKey of [2-(2-ethylpiperidine-1-carbonyl)cyclopropyl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is IKQLLSQUTLDMGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O2/c1-3-14-6-4-5-9-20(14)18(22)16-12-15(16)17(21)19-10-7-13(2)8-11-19/h13-16H,3-12H2,1-2H3.
What are the key properties of [2-(2-ethylpiperidine-1-carbonyl)cyclopropyl]-(4-methylpiperidin-1-yl)methanone?
[2-(2-ethylpiperidine-1-carbonyl)cyclopropyl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 306.45 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethylpiperidine-1-carbonyl)cyclopropyl]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 109132625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).