N-tert-butyl-4-[[(2-oxoimidazolidine-1-carbonyl)amino]methyl]piperidine-1-carboxamide

C15H27N5O3 — CID 71806765

IUPACN-tert-butyl-4-[[(2-oxoimidazolidine-1-carbonyl)amino]methyl]piperidine-1-carboxamide
SMILESCC(C)(C)NC(=O)N1CCC(CNC(=O)N2CCNC2=O)CC1
InChIInChI=1S/C15H27N5O3/c1-15(2,3)18-14(23)19-7-4-11(5-8-19)10-17-13(22)20-9-6-16-12(20)21/h11H,4-10H2,1-3H3,(H,16,21)(H,17,22)(H,18,23)
InChIKeyRKDAOSQTKVZXBG-UHFFFAOYSA-N
MW325.41 g/mol
LogP0.94
Rot. Bonds2

About N-tert-butyl-4-[[(2-oxoimidazolidine-1-carbonyl)amino]methyl]piperidine-1-carboxamide

N-tert-butyl-4-[[(2-oxoimidazolidine-1-carbonyl)amino]methyl]piperidine-1-carboxamide (PubChem CID 71806765) has the molecular formula C15H27N5O3 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-tert-butyl-4-[[(2-oxoimidazolidine-1-carbonyl)amino]methyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-4-[[(2-oxoimidazolidine-1-carbonyl)amino]methyl]piperidine-1-carboxamide
PubChem CID71806765
Molecular FormulaC15H27N5O3
Molecular Weight325.41 g/mol
Exact Mass325.21
IUPAC NameN-tert-butyl-4-[[(2-oxoimidazolidine-1-carbonyl)amino]methyl]piperidine-1-carboxamide
SMILESCC(C)(C)NC(=O)N1CCC(CNC(=O)N2CCNC2=O)CC1
InChIInChI=1S/C15H27N5O3/c1-15(2,3)18-14(23)19-7-4-11(5-8-19)10-17-13(22)20-9-6-16-12(20)21/h11H,4-10H2,1-3H3,(H,16,21)(H,17,22)(H,18,23)
InChIKeyRKDAOSQTKVZXBG-UHFFFAOYSA-N
XLogP0.94
TPSA93.78 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-tert-butyl-4-[[(2-oxoimidazolidine-1-carbonyl)amino]methyl]piperidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-[[(2-oxoimidazolidine-1-carbonyl)amino]methyl]piperidine-1-carboxamide?
The IUPAC name of N-tert-butyl-4-[[(2-oxoimidazolidine-1-carbonyl)amino]methyl]piperidine-1-carboxamide (CID 71806765) is N-tert-butyl-4-[[(2-oxoimidazolidine-1-carbonyl)amino]methyl]piperidine-1-carboxamide.
What is the SMILES notation for N-tert-butyl-4-[[(2-oxoimidazolidine-1-carbonyl)amino]methyl]piperidine-1-carboxamide?
The canonical SMILES for N-tert-butyl-4-[[(2-oxoimidazolidine-1-carbonyl)amino]methyl]piperidine-1-carboxamide is CC(C)(C)NC(=O)N1CCC(CNC(=O)N2CCNC2=O)CC1.
What is the InChIKey of N-tert-butyl-4-[[(2-oxoimidazolidine-1-carbonyl)amino]methyl]piperidine-1-carboxamide?
The InChIKey is RKDAOSQTKVZXBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O3/c1-15(2,3)18-14(23)19-7-4-11(5-8-19)10-17-13(22)20-9-6-16-12(20)21/h11H,4-10H2,1-3H3,(H,16,21)(H,17,22)(H,18,23).
What are the key properties of N-tert-butyl-4-[[(2-oxoimidazolidine-1-carbonyl)amino]methyl]piperidine-1-carboxamide?
N-tert-butyl-4-[[(2-oxoimidazolidine-1-carbonyl)amino]methyl]piperidine-1-carboxamide has a molecular weight of 325.41 g/mol, XLogP of 0.94, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-[[(2-oxoimidazolidine-1-carbonyl)amino]methyl]piperidine-1-carboxamide is sourced from PubChem (CID 71806765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).