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1-(3,4-dichlorobenzoyl)-N-(2-hydroxypropyl)piperidine-3-carboxamide

C16H20Cl2N2O3 — CID 78862407

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC1-(3,4-dichlorobenzoyl)-N-(2-hydroxypropyl)piperidine-3-carboxamide
SMILESCC(O)CNC(=O)C1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C16H20Cl2N2O3/c1-10(21)8-19-15(22)12-3-2-6-20(9-12)16(23)11-4-5-13(17)14(18)7-11/h4-5,7,10,12,21H,2-3,6,8-9H2,1H3,(H,19,22)
InChIKeyIGCFKDJUXOIKTC-UHFFFAOYSA-N
MW359.25 g/mol
LogP2.34
Rot. Bonds4

About 1-(3,4-dichlorobenzoyl)-N-(2-hydroxypropyl)piperidine-3-carboxamide

1-(3,4-dichlorobenzoyl)-N-(2-hydroxypropyl)piperidine-3-carboxamide (PubChem CID 78862407) has the molecular formula C16H20Cl2N2O3 and a molecular weight of 359.25 g/mol. Its IUPAC name is 1-(3,4-dichlorobenzoyl)-N-(2-hydroxypropyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(3,4-dichlorobenzoyl)-N-(2-hydroxypropyl)piperidine-3-carboxamide
PubChem CID78862407
Molecular FormulaC16H20Cl2N2O3
Molecular Weight359.25 g/mol
Exact Mass358.09
IUPAC Name1-(3,4-dichlorobenzoyl)-N-(2-hydroxypropyl)piperidine-3-carboxamide
SMILESCC(O)CNC(=O)C1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C16H20Cl2N2O3/c1-10(21)8-19-15(22)12-3-2-6-20(9-12)16(23)11-4-5-13(17)14(18)7-11/h4-5,7,10,12,21H,2-3,6,8-9H2,1H3,(H,19,22)
InChIKeyIGCFKDJUXOIKTC-UHFFFAOYSA-N
XLogP2.34
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.25
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorobenzoyl)-N-(2-hydroxypropyl)piperidine-3-carboxamide?
The IUPAC name of 1-(3,4-dichlorobenzoyl)-N-(2-hydroxypropyl)piperidine-3-carboxamide (CID 78862407) is 1-(3,4-dichlorobenzoyl)-N-(2-hydroxypropyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(3,4-dichlorobenzoyl)-N-(2-hydroxypropyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(3,4-dichlorobenzoyl)-N-(2-hydroxypropyl)piperidine-3-carboxamide is CC(O)CNC(=O)C1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of 1-(3,4-dichlorobenzoyl)-N-(2-hydroxypropyl)piperidine-3-carboxamide?
The InChIKey is IGCFKDJUXOIKTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Cl2N2O3/c1-10(21)8-19-15(22)12-3-2-6-20(9-12)16(23)11-4-5-13(17)14(18)7-11/h4-5,7,10,12,21H,2-3,6,8-9H2,1H3,(H,19,22).
What are the key properties of 1-(3,4-dichlorobenzoyl)-N-(2-hydroxypropyl)piperidine-3-carboxamide?
1-(3,4-dichlorobenzoyl)-N-(2-hydroxypropyl)piperidine-3-carboxamide has a molecular weight of 359.25 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorobenzoyl)-N-(2-hydroxypropyl)piperidine-3-carboxamide is sourced from PubChem (CID 78862407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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