N-(3-ethenoxypropyl)-2-methylpiperidine-2-carboxamide

C12H22N2O2 — CID 104596637

IUPACN-(3-ethenoxypropyl)-2-methylpiperidine-2-carboxamide
SMILESC=COCCCNC(=O)C1(C)CCCCN1
InChIInChI=1S/C12H22N2O2/c1-3-16-10-6-8-13-11(15)12(2)7-4-5-9-14-12/h3,14H,1,4-10H2,2H3,(H,13,15)
InChIKeyMZAXRANOTCRZLF-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.18
Rot. Bonds6

About N-(3-ethenoxypropyl)-2-methylpiperidine-2-carboxamide

N-(3-ethenoxypropyl)-2-methylpiperidine-2-carboxamide (PubChem CID 104596637) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is N-(3-ethenoxypropyl)-2-methylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-(3-ethenoxypropyl)-2-methylpiperidine-2-carboxamide
PubChem CID104596637
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC NameN-(3-ethenoxypropyl)-2-methylpiperidine-2-carboxamide
SMILESC=COCCCNC(=O)C1(C)CCCCN1
InChIInChI=1S/C12H22N2O2/c1-3-16-10-6-8-13-11(15)12(2)7-4-5-9-14-12/h3,14H,1,4-10H2,2H3,(H,13,15)
InChIKeyMZAXRANOTCRZLF-UHFFFAOYSA-N
XLogP1.18
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(3-ethenoxypropyl)-2-methylpiperidine-2-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

4-[(2-methylpiperidine-2-carbonyl)amino]butanoic acid
CID 104596542
2-[(2-methylpiperidine-2-carbonyl)amino]ethyl carbamate
CID 104597200
6-[(2-methylpiperidine-2-carbonyl)amino]hexanoic acid
CID 104596546
N-[3-(methanesulfonamido)propyl]-2-methylpiperidine-2-carboxamide
CID 113368586
1-amino-N-(3-ethenoxypropyl)cyclopropane-1-carboxamide
CID 65465567
N-but-3-ynyl-2-methylpiperidine-2-carboxamide
CID 104596852
2-methyl-N-(2-propan-2-yloxyethyl)pyrrolidine-2-carboxamide
CID 104761059
N-(2-fluoroethyl)-2-methylpyrrolidine-2-carboxamide
CID 126976149
1-(3-ethenoxypropyl)-3-propan-2-ylurea
CID 59741503
N-(2,3-dihydroxypropyl)-2-methylpiperidine-2-carboxamide
CID 104596953
N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-methylpiperidine-2-carboxamide
CID 104596903
1-[[(2-methylpiperidine-2-carbonyl)amino]methyl]cycloheptane-1-carboxylic acid
CID 104597132

Frequently Asked Questions

What is the IUPAC name of N-(3-ethenoxypropyl)-2-methylpiperidine-2-carboxamide?
The IUPAC name of N-(3-ethenoxypropyl)-2-methylpiperidine-2-carboxamide (CID 104596637) is N-(3-ethenoxypropyl)-2-methylpiperidine-2-carboxamide.
What is the SMILES notation for N-(3-ethenoxypropyl)-2-methylpiperidine-2-carboxamide?
The canonical SMILES for N-(3-ethenoxypropyl)-2-methylpiperidine-2-carboxamide is C=COCCCNC(=O)C1(C)CCCCN1.
What is the InChIKey of N-(3-ethenoxypropyl)-2-methylpiperidine-2-carboxamide?
The InChIKey is MZAXRANOTCRZLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-3-16-10-6-8-13-11(15)12(2)7-4-5-9-14-12/h3,14H,1,4-10H2,2H3,(H,13,15).
What are the key properties of N-(3-ethenoxypropyl)-2-methylpiperidine-2-carboxamide?
N-(3-ethenoxypropyl)-2-methylpiperidine-2-carboxamide has a molecular weight of 226.32 g/mol, XLogP of 1.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethenoxypropyl)-2-methylpiperidine-2-carboxamide is sourced from PubChem (CID 104596637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).