2-methyl-N-[3-(piperidine-1-carbonyl)phenyl]oxolane-2-carboxamide

C18H24N2O3 — CID 43818795

IUPAC2-methyl-N-[3-(piperidine-1-carbonyl)phenyl]oxolane-2-carboxamide
SMILESCC1(C(=O)Nc2cccc(C(=O)N3CCCCC3)c2)CCCO1
InChIInChI=1S/C18H24N2O3/c1-18(9-6-12-23-18)17(22)19-15-8-5-7-14(13-15)16(21)20-10-3-2-4-11-20/h5,7-8,13H,2-4,6,9-12H2,1H3,(H,19,22)
InChIKeyHLHGREOANVYOKQ-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.82
Rot. Bonds3

About 2-methyl-N-[3-(piperidine-1-carbonyl)phenyl]oxolane-2-carboxamide

2-methyl-N-[3-(piperidine-1-carbonyl)phenyl]oxolane-2-carboxamide (PubChem CID 43818795) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 2-methyl-N-[3-(piperidine-1-carbonyl)phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[3-(piperidine-1-carbonyl)phenyl]oxolane-2-carboxamide
PubChem CID43818795
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name2-methyl-N-[3-(piperidine-1-carbonyl)phenyl]oxolane-2-carboxamide
SMILESCC1(C(=O)Nc2cccc(C(=O)N3CCCCC3)c2)CCCO1
InChIInChI=1S/C18H24N2O3/c1-18(9-6-12-23-18)17(22)19-15-8-5-7-14(13-15)16(21)20-10-3-2-4-11-20/h5,7-8,13H,2-4,6,9-12H2,1H3,(H,19,22)
InChIKeyHLHGREOANVYOKQ-UHFFFAOYSA-N
XLogP2.82
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(3-acetamidophenyl)-2-[3-(azepane-1-carbonyl)anilino]acetamide
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N-[3-(pyrrolidine-1-carbonyl)phenyl]pyridine-4-carboxamide
CID 25049788
tert-butyl N-[3-(pyrrolidine-1-carbonyl)phenyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-(piperidine-1-carbonyl)phenyl]oxolane-2-carboxamide?
The IUPAC name of 2-methyl-N-[3-(piperidine-1-carbonyl)phenyl]oxolane-2-carboxamide (CID 43818795) is 2-methyl-N-[3-(piperidine-1-carbonyl)phenyl]oxolane-2-carboxamide.
What is the SMILES notation for 2-methyl-N-[3-(piperidine-1-carbonyl)phenyl]oxolane-2-carboxamide?
The canonical SMILES for 2-methyl-N-[3-(piperidine-1-carbonyl)phenyl]oxolane-2-carboxamide is CC1(C(=O)Nc2cccc(C(=O)N3CCCCC3)c2)CCCO1.
What is the InChIKey of 2-methyl-N-[3-(piperidine-1-carbonyl)phenyl]oxolane-2-carboxamide?
The InChIKey is HLHGREOANVYOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-18(9-6-12-23-18)17(22)19-15-8-5-7-14(13-15)16(21)20-10-3-2-4-11-20/h5,7-8,13H,2-4,6,9-12H2,1H3,(H,19,22).
What are the key properties of 2-methyl-N-[3-(piperidine-1-carbonyl)phenyl]oxolane-2-carboxamide?
2-methyl-N-[3-(piperidine-1-carbonyl)phenyl]oxolane-2-carboxamide has a molecular weight of 316.40 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-(piperidine-1-carbonyl)phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 43818795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).