1-(4-chlorobenzoyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide

C18H23ClN2O3 — CID 2921033

IUPAC1-(4-chlorobenzoyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCC1CCCO1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H23ClN2O3/c19-15-5-3-14(4-6-15)18(23)21-9-7-13(8-10-21)17(22)20-12-16-2-1-11-24-16/h3-6,13,16H,1-2,7-12H2,(H,20,22)
InChIKeyNRHCTOTVYFSLHJ-UHFFFAOYSA-N
MW350.85 g/mol
LogP2.49
Rot. Bonds4

About 1-(4-chlorobenzoyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide

1-(4-chlorobenzoyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 2921033) has the molecular formula C18H23ClN2O3 and a molecular weight of 350.85 g/mol. Its IUPAC name is 1-(4-chlorobenzoyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorobenzoyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
PubChem CID2921033
Molecular FormulaC18H23ClN2O3
Molecular Weight350.85 g/mol
Exact Mass350.14
IUPAC Name1-(4-chlorobenzoyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCC1CCCO1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H23ClN2O3/c19-15-5-3-14(4-6-15)18(23)21-9-7-13(8-10-21)17(22)20-12-16-2-1-11-24-16/h3-6,13,16H,1-2,7-12H2,(H,20,22)
InChIKeyNRHCTOTVYFSLHJ-UHFFFAOYSA-N
XLogP2.49
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.85
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorobenzoyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-chlorobenzoyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide (CID 2921033) is 1-(4-chlorobenzoyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-chlorobenzoyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-chlorobenzoyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide is O=C(NCC1CCCO1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-(4-chlorobenzoyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is NRHCTOTVYFSLHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2O3/c19-15-5-3-14(4-6-15)18(23)21-9-7-13(8-10-21)17(22)20-12-16-2-1-11-24-16/h3-6,13,16H,1-2,7-12H2,(H,20,22).
What are the key properties of 1-(4-chlorobenzoyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide?
1-(4-chlorobenzoyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 350.85 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorobenzoyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 2921033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).