1-[2-(3-chlorophenoxy)propanoyl]-N-cyclopropylpiperidine-4-carboxamide

C18H23ClN2O3 — CID 55904910

IUPAC1-[2-(3-chlorophenoxy)propanoyl]-N-cyclopropylpiperidine-4-carboxamide
SMILESCC(Oc1cccc(Cl)c1)C(=O)N1CCC(C(=O)NC2CC2)CC1
InChIInChI=1S/C18H23ClN2O3/c1-12(24-16-4-2-3-14(19)11-16)18(23)21-9-7-13(8-10-21)17(22)20-15-5-6-15/h2-4,11-13,15H,5-10H2,1H3,(H,20,22)
InChIKeyWEUBEIVZHHZMMF-UHFFFAOYSA-N
MW350.85 g/mol
LogP2.62
Rot. Bonds5

About 1-[2-(3-chlorophenoxy)propanoyl]-N-cyclopropylpiperidine-4-carboxamide

1-[2-(3-chlorophenoxy)propanoyl]-N-cyclopropylpiperidine-4-carboxamide (PubChem CID 55904910) has the molecular formula C18H23ClN2O3 and a molecular weight of 350.85 g/mol. Its IUPAC name is 1-[2-(3-chlorophenoxy)propanoyl]-N-cyclopropylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(3-chlorophenoxy)propanoyl]-N-cyclopropylpiperidine-4-carboxamide
PubChem CID55904910
Molecular FormulaC18H23ClN2O3
Molecular Weight350.85 g/mol
Exact Mass350.14
IUPAC Name1-[2-(3-chlorophenoxy)propanoyl]-N-cyclopropylpiperidine-4-carboxamide
SMILESCC(Oc1cccc(Cl)c1)C(=O)N1CCC(C(=O)NC2CC2)CC1
InChIInChI=1S/C18H23ClN2O3/c1-12(24-16-4-2-3-14(19)11-16)18(23)21-9-7-13(8-10-21)17(22)20-15-5-6-15/h2-4,11-13,15H,5-10H2,1H3,(H,20,22)
InChIKeyWEUBEIVZHHZMMF-UHFFFAOYSA-N
XLogP2.62
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.85
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenoxy)-1-(4-chloropiperidin-1-yl)propan-1-one
CID 55185310
2-[4-[2-(3-chlorophenoxy)propanoyl]piperazin-1-yl]-N-cyclopropylacetamide
CID 51206927
1-(4-aminopiperidin-1-yl)-2-(3-chlorophenoxy)propan-1-one
CID 55037082
(2R)-1-(azepan-1-yl)-2-(3-chlorophenoxy)propan-1-one
CID 897812
(2S)-2-(3-chlorophenoxy)-N-cyclopropylpropanamide
CID 7722254
2-(3-chlorophenoxy)-1-[4-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 60957511
(2S)-2-(3-chlorophenoxy)-1-morpholin-4-ylpropan-1-one
CID 898248
1-[(3S)-3-aminopyrrolidin-1-yl]-2-(3-chlorophenoxy)propan-1-one;hydrochloride
CID 119934342
(2R)-2-(3-chlorophenoxy)-N-(1-methylpiperidin-4-yl)propanamide
CID 42561318
(2R)-2-(3-chlorophenoxy)-1-(4-methylpiperazin-4-ium-1-yl)propan-1-one
CID 7405258
(2R)-2-(3-chlorophenoxy)-N-(1-propan-2-ylpiperidin-4-yl)propanamide
CID 42562531
2-(3-chlorophenoxy)-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]propan-1-one
CID 115746672

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chlorophenoxy)propanoyl]-N-cyclopropylpiperidine-4-carboxamide?
The IUPAC name of 1-[2-(3-chlorophenoxy)propanoyl]-N-cyclopropylpiperidine-4-carboxamide (CID 55904910) is 1-[2-(3-chlorophenoxy)propanoyl]-N-cyclopropylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(3-chlorophenoxy)propanoyl]-N-cyclopropylpiperidine-4-carboxamide?
The canonical SMILES for 1-[2-(3-chlorophenoxy)propanoyl]-N-cyclopropylpiperidine-4-carboxamide is CC(Oc1cccc(Cl)c1)C(=O)N1CCC(C(=O)NC2CC2)CC1.
What is the InChIKey of 1-[2-(3-chlorophenoxy)propanoyl]-N-cyclopropylpiperidine-4-carboxamide?
The InChIKey is WEUBEIVZHHZMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2O3/c1-12(24-16-4-2-3-14(19)11-16)18(23)21-9-7-13(8-10-21)17(22)20-15-5-6-15/h2-4,11-13,15H,5-10H2,1H3,(H,20,22).
What are the key properties of 1-[2-(3-chlorophenoxy)propanoyl]-N-cyclopropylpiperidine-4-carboxamide?
1-[2-(3-chlorophenoxy)propanoyl]-N-cyclopropylpiperidine-4-carboxamide has a molecular weight of 350.85 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chlorophenoxy)propanoyl]-N-cyclopropylpiperidine-4-carboxamide is sourced from PubChem (CID 55904910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).