N-benzyl-4-[(2-methoxyacetyl)amino]piperidine-1-carboxamide

C16H23N3O3 — CID 654664

IUPACN-benzyl-4-[(2-methoxyacetyl)amino]piperidine-1-carboxamide
SMILESCOCC(=O)NC1CCN(C(=O)NCc2ccccc2)CC1
InChIInChI=1S/C16H23N3O3/c1-22-12-15(20)18-14-7-9-19(10-8-14)16(21)17-11-13-5-3-2-4-6-13/h2-6,14H,7-12H2,1H3,(H,17,21)(H,18,20)
InChIKeyJRCSHRHIOWKBEV-UHFFFAOYSA-N
MW305.38 g/mol
LogP1.12
Rot. Bonds5

About N-benzyl-4-[(2-methoxyacetyl)amino]piperidine-1-carboxamide

N-benzyl-4-[(2-methoxyacetyl)amino]piperidine-1-carboxamide (PubChem CID 654664) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is N-benzyl-4-[(2-methoxyacetyl)amino]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-[(2-methoxyacetyl)amino]piperidine-1-carboxamide
PubChem CID654664
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC NameN-benzyl-4-[(2-methoxyacetyl)amino]piperidine-1-carboxamide
SMILESCOCC(=O)NC1CCN(C(=O)NCc2ccccc2)CC1
InChIInChI=1S/C16H23N3O3/c1-22-12-15(20)18-14-7-9-19(10-8-14)16(21)17-11-13-5-3-2-4-6-13/h2-6,14H,7-12H2,1H3,(H,17,21)(H,18,20)
InChIKeyJRCSHRHIOWKBEV-UHFFFAOYSA-N
XLogP1.12
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[(2-methoxyacetyl)amino]piperidine-1-carboxamide?
The IUPAC name of N-benzyl-4-[(2-methoxyacetyl)amino]piperidine-1-carboxamide (CID 654664) is N-benzyl-4-[(2-methoxyacetyl)amino]piperidine-1-carboxamide.
What is the SMILES notation for N-benzyl-4-[(2-methoxyacetyl)amino]piperidine-1-carboxamide?
The canonical SMILES for N-benzyl-4-[(2-methoxyacetyl)amino]piperidine-1-carboxamide is COCC(=O)NC1CCN(C(=O)NCc2ccccc2)CC1.
What is the InChIKey of N-benzyl-4-[(2-methoxyacetyl)amino]piperidine-1-carboxamide?
The InChIKey is JRCSHRHIOWKBEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-22-12-15(20)18-14-7-9-19(10-8-14)16(21)17-11-13-5-3-2-4-6-13/h2-6,14H,7-12H2,1H3,(H,17,21)(H,18,20).
What are the key properties of N-benzyl-4-[(2-methoxyacetyl)amino]piperidine-1-carboxamide?
N-benzyl-4-[(2-methoxyacetyl)amino]piperidine-1-carboxamide has a molecular weight of 305.38 g/mol, XLogP of 1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[(2-methoxyacetyl)amino]piperidine-1-carboxamide is sourced from PubChem (CID 654664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).