1-[3-(3-methoxyanilino)-3-oxopropyl]piperidine-4-carboxamide

C16H23N3O3 — CID 2900415

IUPAC1-[3-(3-methoxyanilino)-3-oxopropyl]piperidine-4-carboxamide
SMILESCOc1cccc(NC(=O)CCN2CCC(C(N)=O)CC2)c1
InChIInChI=1S/C16H23N3O3/c1-22-14-4-2-3-13(11-14)18-15(20)7-10-19-8-5-12(6-9-19)16(17)21/h2-4,11-12H,5-10H2,1H3,(H2,17,21)(H,18,20)
InChIKeyUSEIROHUVGIODH-UHFFFAOYSA-N
MW305.38 g/mol
LogP1.22
Rot. Bonds6

About 1-[3-(3-methoxyanilino)-3-oxopropyl]piperidine-4-carboxamide

1-[3-(3-methoxyanilino)-3-oxopropyl]piperidine-4-carboxamide (PubChem CID 2900415) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is 1-[3-(3-methoxyanilino)-3-oxopropyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-(3-methoxyanilino)-3-oxopropyl]piperidine-4-carboxamide
PubChem CID2900415
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name1-[3-(3-methoxyanilino)-3-oxopropyl]piperidine-4-carboxamide
SMILESCOc1cccc(NC(=O)CCN2CCC(C(N)=O)CC2)c1
InChIInChI=1S/C16H23N3O3/c1-22-14-4-2-3-13(11-14)18-15(20)7-10-19-8-5-12(6-9-19)16(17)21/h2-4,11-12H,5-10H2,1H3,(H2,17,21)(H,18,20)
InChIKeyUSEIROHUVGIODH-UHFFFAOYSA-N
XLogP1.22
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-methoxyanilino)-3-oxopropyl]piperidine-4-carboxamide?
The IUPAC name of 1-[3-(3-methoxyanilino)-3-oxopropyl]piperidine-4-carboxamide (CID 2900415) is 1-[3-(3-methoxyanilino)-3-oxopropyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-(3-methoxyanilino)-3-oxopropyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[3-(3-methoxyanilino)-3-oxopropyl]piperidine-4-carboxamide is COc1cccc(NC(=O)CCN2CCC(C(N)=O)CC2)c1.
What is the InChIKey of 1-[3-(3-methoxyanilino)-3-oxopropyl]piperidine-4-carboxamide?
The InChIKey is USEIROHUVGIODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-22-14-4-2-3-13(11-14)18-15(20)7-10-19-8-5-12(6-9-19)16(17)21/h2-4,11-12H,5-10H2,1H3,(H2,17,21)(H,18,20).
What are the key properties of 1-[3-(3-methoxyanilino)-3-oxopropyl]piperidine-4-carboxamide?
1-[3-(3-methoxyanilino)-3-oxopropyl]piperidine-4-carboxamide has a molecular weight of 305.38 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-methoxyanilino)-3-oxopropyl]piperidine-4-carboxamide is sourced from PubChem (CID 2900415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).