1-(2-ethylpiperidine-1-carbonyl)-N-[2-(4-methoxyphenoxy)ethyl]cyclopropane-1-carboxamide

C21H30N2O4 — CID 108979259

IUPAC1-(2-ethylpiperidine-1-carbonyl)-N-[2-(4-methoxyphenoxy)ethyl]cyclopropane-1-carboxamide
SMILESCCC1CCCCN1C(=O)C1(C(=O)NCCOc2ccc(OC)cc2)CC1
InChIInChI=1S/C21H30N2O4/c1-3-16-6-4-5-14-23(16)20(25)21(11-12-21)19(24)22-13-15-27-18-9-7-17(26-2)8-10-18/h7-10,16H,3-6,11-15H2,1-2H3,(H,22,24)
InChIKeyCFCOFYYSHINMFO-UHFFFAOYSA-N
MW374.48 g/mol
LogP2.76
Rot. Bonds8

About 1-(2-ethylpiperidine-1-carbonyl)-N-[2-(4-methoxyphenoxy)ethyl]cyclopropane-1-carboxamide

1-(2-ethylpiperidine-1-carbonyl)-N-[2-(4-methoxyphenoxy)ethyl]cyclopropane-1-carboxamide (PubChem CID 108979259) has the molecular formula C21H30N2O4 and a molecular weight of 374.48 g/mol. Its IUPAC name is 1-(2-ethylpiperidine-1-carbonyl)-N-[2-(4-methoxyphenoxy)ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(2-ethylpiperidine-1-carbonyl)-N-[2-(4-methoxyphenoxy)ethyl]cyclopropane-1-carboxamide
PubChem CID108979259
Molecular FormulaC21H30N2O4
Molecular Weight374.48 g/mol
Exact Mass374.22
IUPAC Name1-(2-ethylpiperidine-1-carbonyl)-N-[2-(4-methoxyphenoxy)ethyl]cyclopropane-1-carboxamide
SMILESCCC1CCCCN1C(=O)C1(C(=O)NCCOc2ccc(OC)cc2)CC1
InChIInChI=1S/C21H30N2O4/c1-3-16-6-4-5-14-23(16)20(25)21(11-12-21)19(24)22-13-15-27-18-9-7-17(26-2)8-10-18/h7-10,16H,3-6,11-15H2,1-2H3,(H,22,24)
InChIKeyCFCOFYYSHINMFO-UHFFFAOYSA-N
XLogP2.76
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(azepane-1-carbonyl)-N-[2-(4-methoxyphenoxy)ethyl]cyclopropane-1-carboxamide
CID 108979261
N-[2-(3,5-dimethoxyphenoxy)ethyl]-2-ethylpiperidine-1-carboxamide
CID 112975668
1-(2-ethylpiperidin-1-yl)-2-(4-methoxyphenoxy)ethanone
CID 78762202
N-[3-(dimethylamino)propyl]-1-(2-ethylpiperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108973786
[1-(2-ethylpiperidine-1-carbonyl)cyclopropyl]-(2-ethylpiperidin-1-yl)methanone
CID 108980012
1-(2-ethylpiperidine-1-carbonyl)-N-[(2-methylphenyl)methyl]cyclopropane-1-carboxamide
CID 108974951
1-(2-ethylpiperidine-1-carbonyl)-N-(2-methoxy-5-methylphenyl)cyclopropane-1-carboxamide
CID 108980063
N-(3-chloro-4-methoxyphenyl)-1-(2-ethylpiperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108980054
(2-ethylpiperidin-1-yl)-[5-[2-(4-methoxyphenoxy)ethylamino]-3-pyridinyl]methanone
CID 109239202
5-(2-ethylpiperidin-1-yl)-N-[2-(4-methoxyphenoxy)ethyl]pyridine-2-carboxamide
CID 109194957
2-(2-ethylpiperidin-1-yl)-N-[2-(4-methoxyphenoxy)ethyl]pyridine-4-carboxamide
CID 109174906
N-butan-2-yl-1-(2-ethylpiperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108971442

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylpiperidine-1-carbonyl)-N-[2-(4-methoxyphenoxy)ethyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(2-ethylpiperidine-1-carbonyl)-N-[2-(4-methoxyphenoxy)ethyl]cyclopropane-1-carboxamide (CID 108979259) is 1-(2-ethylpiperidine-1-carbonyl)-N-[2-(4-methoxyphenoxy)ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(2-ethylpiperidine-1-carbonyl)-N-[2-(4-methoxyphenoxy)ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(2-ethylpiperidine-1-carbonyl)-N-[2-(4-methoxyphenoxy)ethyl]cyclopropane-1-carboxamide is CCC1CCCCN1C(=O)C1(C(=O)NCCOc2ccc(OC)cc2)CC1.
What is the InChIKey of 1-(2-ethylpiperidine-1-carbonyl)-N-[2-(4-methoxyphenoxy)ethyl]cyclopropane-1-carboxamide?
The InChIKey is CFCOFYYSHINMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O4/c1-3-16-6-4-5-14-23(16)20(25)21(11-12-21)19(24)22-13-15-27-18-9-7-17(26-2)8-10-18/h7-10,16H,3-6,11-15H2,1-2H3,(H,22,24).
What are the key properties of 1-(2-ethylpiperidine-1-carbonyl)-N-[2-(4-methoxyphenoxy)ethyl]cyclopropane-1-carboxamide?
1-(2-ethylpiperidine-1-carbonyl)-N-[2-(4-methoxyphenoxy)ethyl]cyclopropane-1-carboxamide has a molecular weight of 374.48 g/mol, XLogP of 2.76, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylpiperidine-1-carbonyl)-N-[2-(4-methoxyphenoxy)ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 108979259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).