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

C18H30N2O2 — CID 108972390

IUPAC[1-(2-ethylpiperidine-1-carbonyl)cyclopropyl]-(4-methylpiperidin-1-yl)methanone
SMILESCCC1CCCCN1C(=O)C1(C(=O)N2CCC(C)CC2)CC1
InChIInChI=1S/C18H30N2O2/c1-3-15-6-4-5-11-20(15)17(22)18(9-10-18)16(21)19-12-7-14(2)8-13-19/h14-15H,3-13H2,1-2H3
InChIKeyMEZVQMZAPYKXMK-UHFFFAOYSA-N
MW306.45 g/mol
LogP2.82
Rot. Bonds3

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

[1-(2-ethylpiperidine-1-carbonyl)cyclopropyl]-(4-methylpiperidin-1-yl)methanone (PubChem CID 108972390) has the molecular formula C18H30N2O2 and a molecular weight of 306.45 g/mol. Its IUPAC name is [1-(2-ethylpiperidine-1-carbonyl)cyclopropyl]-(4-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[1-(2-ethylpiperidine-1-carbonyl)cyclopropyl]-(4-methylpiperidin-1-yl)methanone
PubChem CID108972390
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC Name[1-(2-ethylpiperidine-1-carbonyl)cyclopropyl]-(4-methylpiperidin-1-yl)methanone
SMILESCCC1CCCCN1C(=O)C1(C(=O)N2CCC(C)CC2)CC1
InChIInChI=1S/C18H30N2O2/c1-3-15-6-4-5-11-20(15)17(22)18(9-10-18)16(21)19-12-7-14(2)8-13-19/h14-15H,3-13H2,1-2H3
InChIKeyMEZVQMZAPYKXMK-UHFFFAOYSA-N
XLogP2.82
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 ≤ 52.82
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]-(2-ethylpiperidin-1-yl)methanone
CID 108980012
(4-benzylpiperidin-1-yl)-[1-(2-ethylpiperidine-1-carbonyl)cyclopropyl]methanone
CID 108979977
[1-(2-ethylpiperidine-1-carbonyl)cyclopropyl]-(4-phenylpiperazin-1-yl)methanone
CID 108978161
[2-(2-ethylpiperidine-1-carbonyl)cyclopropyl]-(4-methylpiperidin-1-yl)methanone
CID 109132625
N-butan-2-yl-1-(2-ethylpiperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108971442
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-amino-3-methylcyclohexyl)-(2-ethylazepan-1-yl)methanone
CID 104689695
(2-ethylpiperidin-1-yl)-(1-phenylcyclobutyl)methanone
CID 110487740
1-(2-ethylazepan-1-yl)ethanone
CID 115642380
1-[(2R)-2-ethylpiperidin-1-yl]propan-1-one
CID 40538705
[1-(3-methylpiperidine-1-carbonyl)cyclopropyl]-piperidin-1-ylmethanone
CID 108972017

Frequently Asked Questions

What is the IUPAC name of [1-(2-ethylpiperidine-1-carbonyl)cyclopropyl]-(4-methylpiperidin-1-yl)methanone?
The IUPAC name of [1-(2-ethylpiperidine-1-carbonyl)cyclopropyl]-(4-methylpiperidin-1-yl)methanone (CID 108972390) is [1-(2-ethylpiperidine-1-carbonyl)cyclopropyl]-(4-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [1-(2-ethylpiperidine-1-carbonyl)cyclopropyl]-(4-methylpiperidin-1-yl)methanone?
The canonical SMILES for [1-(2-ethylpiperidine-1-carbonyl)cyclopropyl]-(4-methylpiperidin-1-yl)methanone is CCC1CCCCN1C(=O)C1(C(=O)N2CCC(C)CC2)CC1.
What is the InChIKey of [1-(2-ethylpiperidine-1-carbonyl)cyclopropyl]-(4-methylpiperidin-1-yl)methanone?
The InChIKey is MEZVQMZAPYKXMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O2/c1-3-15-6-4-5-11-20(15)17(22)18(9-10-18)16(21)19-12-7-14(2)8-13-19/h14-15H,3-13H2,1-2H3.
What are the key properties of [1-(2-ethylpiperidine-1-carbonyl)cyclopropyl]-(4-methylpiperidin-1-yl)methanone?
[1-(2-ethylpiperidine-1-carbonyl)cyclopropyl]-(4-methylpiperidin-1-yl)methanone has a molecular weight of 306.45 g/mol, XLogP of 2.82, 3 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]-(4-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 108972390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).