1-(2-chlorophenoxy)-N-(1,2-dimethylpiperidin-4-yl)cyclopropane-1-carboxamide

C17H23ClN2O2 — CID 169209423

IUPAC1-(2-chlorophenoxy)-N-(1,2-dimethylpiperidin-4-yl)cyclopropane-1-carboxamide
SMILESCC1CC(NC(=O)C2(Oc3ccccc3Cl)CC2)CCN1C
InChIInChI=1S/C17H23ClN2O2/c1-12-11-13(7-10-20(12)2)19-16(21)17(8-9-17)22-15-6-4-3-5-14(15)18/h3-6,12-13H,7-11H2,1-2H3,(H,19,21)
InChIKeyUQJSATJDBBRKOM-UHFFFAOYSA-N
MW322.84 g/mol
LogP2.85
Rot. Bonds4

About 1-(2-chlorophenoxy)-N-(1,2-dimethylpiperidin-4-yl)cyclopropane-1-carboxamide

1-(2-chlorophenoxy)-N-(1,2-dimethylpiperidin-4-yl)cyclopropane-1-carboxamide (PubChem CID 169209423) has the molecular formula C17H23ClN2O2 and a molecular weight of 322.84 g/mol. Its IUPAC name is 1-(2-chlorophenoxy)-N-(1,2-dimethylpiperidin-4-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(2-chlorophenoxy)-N-(1,2-dimethylpiperidin-4-yl)cyclopropane-1-carboxamide
PubChem CID169209423
Molecular FormulaC17H23ClN2O2
Molecular Weight322.84 g/mol
Exact Mass322.14
IUPAC Name1-(2-chlorophenoxy)-N-(1,2-dimethylpiperidin-4-yl)cyclopropane-1-carboxamide
SMILESCC1CC(NC(=O)C2(Oc3ccccc3Cl)CC2)CCN1C
InChIInChI=1S/C17H23ClN2O2/c1-12-11-13(7-10-20(12)2)19-16(21)17(8-9-17)22-15-6-4-3-5-14(15)18/h3-6,12-13H,7-11H2,1-2H3,(H,19,21)
InChIKeyUQJSATJDBBRKOM-UHFFFAOYSA-N
XLogP2.85
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.84
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,2-dimethylpiperidin-4-yl)-4-methoxypiperidine-4-carboxamide;dihydrochloride
CID 119886301
2,6-dichloro-N-(1,2-dimethylpiperidin-4-yl)pyridine-4-carboxamide
CID 79005722
3-bromo-N-(1,2-dimethylpiperidin-4-yl)-2-methylbenzamide
CID 79036258
N-(1,2-dimethylpiperidin-4-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;dihydrochloride
CID 120941761
3-amino-N-(1,2-dimethylpiperidin-4-yl)-2-methyl-3-phenylpropanamide
CID 81494459
4-chloro-N-(1,2-dimethylpiperidin-4-yl)pyridine-2-carboxamide
CID 79005580
1-cyano-N-(1,2-dimethylpiperidin-4-yl)-3-methylcyclobutane-1-carboxamide
CID 80501435
3-chloro-1-N-(1,2-dimethylpiperidin-4-yl)benzene-1,2-diamine
CID 104834770
3,5-dibromo-N-(1,2-dimethylpiperidin-4-yl)benzamide
CID 103908813
2-bromo-N-(1,2-dimethylpiperidin-4-yl)-5-methylbenzamide
CID 81001993
methyl 4-[(2-chlorobenzoyl)amino]piperidine-1-carboxylate
CID 47392418
2-[4-[2-(2-chlorophenoxy)ethyl]piperazin-1-yl]-N-(3-methylcyclohexyl)acetamide
CID 78871439

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenoxy)-N-(1,2-dimethylpiperidin-4-yl)cyclopropane-1-carboxamide?
The IUPAC name of 1-(2-chlorophenoxy)-N-(1,2-dimethylpiperidin-4-yl)cyclopropane-1-carboxamide (CID 169209423) is 1-(2-chlorophenoxy)-N-(1,2-dimethylpiperidin-4-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(2-chlorophenoxy)-N-(1,2-dimethylpiperidin-4-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-(2-chlorophenoxy)-N-(1,2-dimethylpiperidin-4-yl)cyclopropane-1-carboxamide is CC1CC(NC(=O)C2(Oc3ccccc3Cl)CC2)CCN1C.
What is the InChIKey of 1-(2-chlorophenoxy)-N-(1,2-dimethylpiperidin-4-yl)cyclopropane-1-carboxamide?
The InChIKey is UQJSATJDBBRKOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O2/c1-12-11-13(7-10-20(12)2)19-16(21)17(8-9-17)22-15-6-4-3-5-14(15)18/h3-6,12-13H,7-11H2,1-2H3,(H,19,21).
What are the key properties of 1-(2-chlorophenoxy)-N-(1,2-dimethylpiperidin-4-yl)cyclopropane-1-carboxamide?
1-(2-chlorophenoxy)-N-(1,2-dimethylpiperidin-4-yl)cyclopropane-1-carboxamide has a molecular weight of 322.84 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenoxy)-N-(1,2-dimethylpiperidin-4-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 169209423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).