1-[4-(2-methylphenoxy)piperidine-1-carbonyl]cyclopropane-1-carboxamide

C17H22N2O3 — CID 70744445

IUPAC1-[4-(2-methylphenoxy)piperidine-1-carbonyl]cyclopropane-1-carboxamide
SMILESCc1ccccc1OC1CCN(C(=O)C2(C(N)=O)CC2)CC1
InChIInChI=1S/C17H22N2O3/c1-12-4-2-3-5-14(12)22-13-6-10-19(11-7-13)16(21)17(8-9-17)15(18)20/h2-5,13H,6-11H2,1H3,(H2,18,20)
InChIKeyWNLQMIAADICWJC-UHFFFAOYSA-N
MW302.37 g/mol
LogP1.63
Rot. Bonds4

About 1-[4-(2-methylphenoxy)piperidine-1-carbonyl]cyclopropane-1-carboxamide

1-[4-(2-methylphenoxy)piperidine-1-carbonyl]cyclopropane-1-carboxamide (PubChem CID 70744445) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 1-[4-(2-methylphenoxy)piperidine-1-carbonyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-[4-(2-methylphenoxy)piperidine-1-carbonyl]cyclopropane-1-carboxamide
PubChem CID70744445
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name1-[4-(2-methylphenoxy)piperidine-1-carbonyl]cyclopropane-1-carboxamide
SMILESCc1ccccc1OC1CCN(C(=O)C2(C(N)=O)CC2)CC1
InChIInChI=1S/C17H22N2O3/c1-12-4-2-3-5-14(12)22-13-6-10-19(11-7-13)16(21)17(8-9-17)15(18)20/h2-5,13H,6-11H2,1H3,(H2,18,20)
InChIKeyWNLQMIAADICWJC-UHFFFAOYSA-N
XLogP1.63
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methylphenoxy)piperidine-1-carbonyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-[4-(2-methylphenoxy)piperidine-1-carbonyl]cyclopropane-1-carboxamide (CID 70744445) is 1-[4-(2-methylphenoxy)piperidine-1-carbonyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-[4-(2-methylphenoxy)piperidine-1-carbonyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-[4-(2-methylphenoxy)piperidine-1-carbonyl]cyclopropane-1-carboxamide is Cc1ccccc1OC1CCN(C(=O)C2(C(N)=O)CC2)CC1.
What is the InChIKey of 1-[4-(2-methylphenoxy)piperidine-1-carbonyl]cyclopropane-1-carboxamide?
The InChIKey is WNLQMIAADICWJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-12-4-2-3-5-14(12)22-13-6-10-19(11-7-13)16(21)17(8-9-17)15(18)20/h2-5,13H,6-11H2,1H3,(H2,18,20).
What are the key properties of 1-[4-(2-methylphenoxy)piperidine-1-carbonyl]cyclopropane-1-carboxamide?
1-[4-(2-methylphenoxy)piperidine-1-carbonyl]cyclopropane-1-carboxamide has a molecular weight of 302.37 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methylphenoxy)piperidine-1-carbonyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 70744445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).