1-[1-(4-chloroanilino)-1-oxopropan-2-yl]-N-propylpiperidine-4-carboxamide

C18H26ClN3O2 — CID 51112690

IUPAC1-[1-(4-chloroanilino)-1-oxopropan-2-yl]-N-propylpiperidine-4-carboxamide
SMILESCCCNC(=O)C1CCN(C(C)C(=O)Nc2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H26ClN3O2/c1-3-10-20-18(24)14-8-11-22(12-9-14)13(2)17(23)21-16-6-4-15(19)5-7-16/h4-7,13-14H,3,8-12H2,1-2H3,(H,20,24)(H,21,23)
InChIKeyIOPJUDVLLIVWGE-UHFFFAOYSA-N
MW351.88 g/mol
LogP2.91
Rot. Bonds6

About 1-[1-(4-chloroanilino)-1-oxopropan-2-yl]-N-propylpiperidine-4-carboxamide

1-[1-(4-chloroanilino)-1-oxopropan-2-yl]-N-propylpiperidine-4-carboxamide (PubChem CID 51112690) has the molecular formula C18H26ClN3O2 and a molecular weight of 351.88 g/mol. Its IUPAC name is 1-[1-(4-chloroanilino)-1-oxopropan-2-yl]-N-propylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-(4-chloroanilino)-1-oxopropan-2-yl]-N-propylpiperidine-4-carboxamide
PubChem CID51112690
Molecular FormulaC18H26ClN3O2
Molecular Weight351.88 g/mol
Exact Mass351.17
IUPAC Name1-[1-(4-chloroanilino)-1-oxopropan-2-yl]-N-propylpiperidine-4-carboxamide
SMILESCCCNC(=O)C1CCN(C(C)C(=O)Nc2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H26ClN3O2/c1-3-10-20-18(24)14-8-11-22(12-9-14)13(2)17(23)21-16-6-4-15(19)5-7-16/h4-7,13-14H,3,8-12H2,1-2H3,(H,20,24)(H,21,23)
InChIKeyIOPJUDVLLIVWGE-UHFFFAOYSA-N
XLogP2.91
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.88
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chloroanilino)-1-oxopropan-2-yl]-N-propylpiperidine-4-carboxamide?
The IUPAC name of 1-[1-(4-chloroanilino)-1-oxopropan-2-yl]-N-propylpiperidine-4-carboxamide (CID 51112690) is 1-[1-(4-chloroanilino)-1-oxopropan-2-yl]-N-propylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[1-(4-chloroanilino)-1-oxopropan-2-yl]-N-propylpiperidine-4-carboxamide?
The canonical SMILES for 1-[1-(4-chloroanilino)-1-oxopropan-2-yl]-N-propylpiperidine-4-carboxamide is CCCNC(=O)C1CCN(C(C)C(=O)Nc2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[1-(4-chloroanilino)-1-oxopropan-2-yl]-N-propylpiperidine-4-carboxamide?
The InChIKey is IOPJUDVLLIVWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClN3O2/c1-3-10-20-18(24)14-8-11-22(12-9-14)13(2)17(23)21-16-6-4-15(19)5-7-16/h4-7,13-14H,3,8-12H2,1-2H3,(H,20,24)(H,21,23).
What are the key properties of 1-[1-(4-chloroanilino)-1-oxopropan-2-yl]-N-propylpiperidine-4-carboxamide?
1-[1-(4-chloroanilino)-1-oxopropan-2-yl]-N-propylpiperidine-4-carboxamide has a molecular weight of 351.88 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chloroanilino)-1-oxopropan-2-yl]-N-propylpiperidine-4-carboxamide is sourced from PubChem (CID 51112690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).