N-(2,3-dichlorophenyl)-1-(oxolane-2-carbonyl)piperidine-4-carboxamide

C17H20Cl2N2O3 — CID 113008613

IUPACN-(2,3-dichlorophenyl)-1-(oxolane-2-carbonyl)piperidine-4-carboxamide
SMILESO=C(Nc1cccc(Cl)c1Cl)C1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C17H20Cl2N2O3/c18-12-3-1-4-13(15(12)19)20-16(22)11-6-8-21(9-7-11)17(23)14-5-2-10-24-14/h1,3-4,11,14H,2,5-10H2,(H,20,22)
InChIKeyHPDPNCJDQCFYOK-UHFFFAOYSA-N
MW371.26 g/mol
LogP3.35
Rot. Bonds3

About N-(2,3-dichlorophenyl)-1-(oxolane-2-carbonyl)piperidine-4-carboxamide

N-(2,3-dichlorophenyl)-1-(oxolane-2-carbonyl)piperidine-4-carboxamide (PubChem CID 113008613) has the molecular formula C17H20Cl2N2O3 and a molecular weight of 371.26 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-1-(oxolane-2-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-1-(oxolane-2-carbonyl)piperidine-4-carboxamide
PubChem CID113008613
Molecular FormulaC17H20Cl2N2O3
Molecular Weight371.26 g/mol
Exact Mass370.09
IUPAC NameN-(2,3-dichlorophenyl)-1-(oxolane-2-carbonyl)piperidine-4-carboxamide
SMILESO=C(Nc1cccc(Cl)c1Cl)C1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C17H20Cl2N2O3/c18-12-3-1-4-13(15(12)19)20-16(22)11-6-8-21(9-7-11)17(23)14-5-2-10-24-14/h1,3-4,11,14H,2,5-10H2,(H,20,22)
InChIKeyHPDPNCJDQCFYOK-UHFFFAOYSA-N
XLogP3.35
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.26
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dichlorophenyl)oxolane-2-carboxamide
CID 3155144
N-(2-chlorophenyl)-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
CID 17297614
N-[3-(3-chlorophenyl)phenyl]-1-(oxolane-2-carbonyl)piperidine-4-carboxamide
CID 45203674
N-(2,3-dichlorophenyl)cyclopropanecarboxamide
CID 4652086
1-(oxolane-2-carbonyl)-N-(4-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide
CID 113008118
N-(2,3-dichlorophenyl)-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 1327552
N-(2,3-dichlorophenyl)cyclohexanecarboxamide
CID 836509
N-(2,3-dichlorophenyl)-4-hydroxycyclohexane-1-carboxamide
CID 112524536
N-(5-bromo-2-pyridinyl)-1-(oxolane-2-carbonyl)piperidine-4-carboxamide
CID 55932163
N-[2-(3-chlorophenyl)ethyl]-1-(oxolane-2-carbonyl)piperidine-4-carboxamide
CID 113005952
2-chloro-N-[1-(oxolane-2-carbonyl)piperidin-4-yl]benzamide
CID 110819750
(2S)-N-(2-bromo-3-chlorophenyl)oxolane-2-carboxamide
CID 103479904

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-1-(oxolane-2-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-(2,3-dichlorophenyl)-1-(oxolane-2-carbonyl)piperidine-4-carboxamide (CID 113008613) is N-(2,3-dichlorophenyl)-1-(oxolane-2-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-1-(oxolane-2-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-1-(oxolane-2-carbonyl)piperidine-4-carboxamide is O=C(Nc1cccc(Cl)c1Cl)C1CCN(C(=O)C2CCCO2)CC1.
What is the InChIKey of N-(2,3-dichlorophenyl)-1-(oxolane-2-carbonyl)piperidine-4-carboxamide?
The InChIKey is HPDPNCJDQCFYOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20Cl2N2O3/c18-12-3-1-4-13(15(12)19)20-16(22)11-6-8-21(9-7-11)17(23)14-5-2-10-24-14/h1,3-4,11,14H,2,5-10H2,(H,20,22).
What are the key properties of N-(2,3-dichlorophenyl)-1-(oxolane-2-carbonyl)piperidine-4-carboxamide?
N-(2,3-dichlorophenyl)-1-(oxolane-2-carbonyl)piperidine-4-carboxamide has a molecular weight of 371.26 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-1-(oxolane-2-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 113008613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).