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

C19H32N2O2 — CID 108980012

IUPAC[1-(2-ethylpiperidine-1-carbonyl)cyclopropyl]-(2-ethylpiperidin-1-yl)methanone
SMILESCCC1CCCCN1C(=O)C1(C(=O)N2CCCCC2CC)CC1
InChIInChI=1S/C19H32N2O2/c1-3-15-9-5-7-13-20(15)17(22)19(11-12-19)18(23)21-14-8-6-10-16(21)4-2/h15-16H,3-14H2,1-2H3
InChIKeyVDONYYPHHYRZOG-UHFFFAOYSA-N
MW320.48 g/mol
LogP3.35
Rot. Bonds4

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

[1-(2-ethylpiperidine-1-carbonyl)cyclopropyl]-(2-ethylpiperidin-1-yl)methanone (PubChem CID 108980012) has the molecular formula C19H32N2O2 and a molecular weight of 320.48 g/mol. Its IUPAC name is [1-(2-ethylpiperidine-1-carbonyl)cyclopropyl]-(2-ethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[1-(2-ethylpiperidine-1-carbonyl)cyclopropyl]-(2-ethylpiperidin-1-yl)methanone
PubChem CID108980012
Molecular FormulaC19H32N2O2
Molecular Weight320.48 g/mol
Exact Mass320.25
IUPAC Name[1-(2-ethylpiperidine-1-carbonyl)cyclopropyl]-(2-ethylpiperidin-1-yl)methanone
SMILESCCC1CCCCN1C(=O)C1(C(=O)N2CCCCC2CC)CC1
InChIInChI=1S/C19H32N2O2/c1-3-15-9-5-7-13-20(15)17(22)19(11-12-19)18(23)21-14-8-6-10-16(21)4-2/h15-16H,3-14H2,1-2H3
InChIKeyVDONYYPHHYRZOG-UHFFFAOYSA-N
XLogP3.35
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

[1-(2-ethylpiperidine-1-carbonyl)cyclopropyl]-(4-methylpiperidin-1-yl)methanone
CID 108972390
N-butan-2-yl-1-(2-ethylpiperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108971442
[1-(2-ethylpiperidine-1-carbonyl)cyclopropyl]-(4-phenylpiperazin-1-yl)methanone
CID 108978161
(4-benzylpiperidin-1-yl)-[1-(2-ethylpiperidine-1-carbonyl)cyclopropyl]methanone
CID 108979977
N-[3-(dimethylamino)propyl]-1-(2-ethylpiperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108973786
1-(2-ethylpyrrolidine-1-carbonyl)-N'-hydroxycyclobutane-1-carboximidamide
CID 80596852
1-(2-ethylazepan-1-yl)ethanone
CID 115642380
1-[(2R)-2-ethylpiperidin-1-yl]propan-1-one
CID 40538705
(2-ethylpiperidin-1-yl)-(1-phenylcyclobutyl)methanone
CID 110487740
cyclohexyl-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 798108
1-(2-ethylpiperidine-1-carbonyl)-N-[(2-methylphenyl)methyl]cyclopropane-1-carboxamide
CID 108974951
4-(2-ethylpiperidine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 63783975

Frequently Asked Questions

What is the IUPAC name of [1-(2-ethylpiperidine-1-carbonyl)cyclopropyl]-(2-ethylpiperidin-1-yl)methanone?
The IUPAC name of [1-(2-ethylpiperidine-1-carbonyl)cyclopropyl]-(2-ethylpiperidin-1-yl)methanone (CID 108980012) is [1-(2-ethylpiperidine-1-carbonyl)cyclopropyl]-(2-ethylpiperidin-1-yl)methanone.
What is the SMILES notation for [1-(2-ethylpiperidine-1-carbonyl)cyclopropyl]-(2-ethylpiperidin-1-yl)methanone?
The canonical SMILES for [1-(2-ethylpiperidine-1-carbonyl)cyclopropyl]-(2-ethylpiperidin-1-yl)methanone is CCC1CCCCN1C(=O)C1(C(=O)N2CCCCC2CC)CC1.
What is the InChIKey of [1-(2-ethylpiperidine-1-carbonyl)cyclopropyl]-(2-ethylpiperidin-1-yl)methanone?
The InChIKey is VDONYYPHHYRZOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O2/c1-3-15-9-5-7-13-20(15)17(22)19(11-12-19)18(23)21-14-8-6-10-16(21)4-2/h15-16H,3-14H2,1-2H3.
What are the key properties of [1-(2-ethylpiperidine-1-carbonyl)cyclopropyl]-(2-ethylpiperidin-1-yl)methanone?
[1-(2-ethylpiperidine-1-carbonyl)cyclopropyl]-(2-ethylpiperidin-1-yl)methanone has a molecular weight of 320.48 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-ethylpiperidine-1-carbonyl)cyclopropyl]-(2-ethylpiperidin-1-yl)methanone is sourced from PubChem (CID 108980012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).