N-(2,2-diethoxyethyl)-4-methylpiperidine-1-carboxamide

C13H26N2O3 — CID 79547641

IUPACN-(2,2-diethoxyethyl)-4-methylpiperidine-1-carboxamide
SMILESCCOC(CNC(=O)N1CCC(C)CC1)OCC
InChIInChI=1S/C13H26N2O3/c1-4-17-12(18-5-2)10-14-13(16)15-8-6-11(3)7-9-15/h11-12H,4-10H2,1-3H3,(H,14,16)
InChIKeyVKPUNRAHSLNTCG-UHFFFAOYSA-N
MW258.36 g/mol
LogP1.83
Rot. Bonds6

About N-(2,2-diethoxyethyl)-4-methylpiperidine-1-carboxamide

N-(2,2-diethoxyethyl)-4-methylpiperidine-1-carboxamide (PubChem CID 79547641) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is N-(2,2-diethoxyethyl)-4-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2,2-diethoxyethyl)-4-methylpiperidine-1-carboxamide
PubChem CID79547641
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC NameN-(2,2-diethoxyethyl)-4-methylpiperidine-1-carboxamide
SMILESCCOC(CNC(=O)N1CCC(C)CC1)OCC
InChIInChI=1S/C13H26N2O3/c1-4-17-12(18-5-2)10-14-13(16)15-8-6-11(3)7-9-15/h11-12H,4-10H2,1-3H3,(H,14,16)
InChIKeyVKPUNRAHSLNTCG-UHFFFAOYSA-N
XLogP1.83
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(2-ethoxypropyl)-4-methylpiperidine-1-carboxamide
CID 115667465
4-methyl-N-(2-methylbutyl)piperidine-1-carboxamide
CID 116655598
N-(2-methoxypropyl)-4-methylpiperidine-1-carboxamide
CID 102697405
4-methyl-N-propylpiperidine-1-carboxamide
CID 19169940
4-methyl-N-(2-propan-2-yloxyethyl)piperidine-1-carboxamide
CID 104578083
4-methyl-N-(2-piperidin-1-ylpropyl)piperidine-1-carboxamide
CID 115589370
(2S)-2-hydroxy-3-[(4-methylazepane-1-carbonyl)amino]propanoic acid
CID 107839970
4-methyl-N-(3-methylbutyl)piperidine-1-carboxamide
CID 51712124
N-[2-[di(propan-2-yl)amino]ethyl]-4-methylpiperidine-1-carboxamide
CID 115583128
3-methyl-4-[(4-methylazepane-1-carbonyl)amino]butanoic acid
CID 81069003
4-methyl-N-[2-(propylamino)ethyl]piperidine-1-carboxamide
CID 79163549
4-methyl-N-(2-oxo-2-piperidin-1-ylethyl)piperidine-1-carboxamide
CID 115583845

Frequently Asked Questions

What is the IUPAC name of N-(2,2-diethoxyethyl)-4-methylpiperidine-1-carboxamide?
The IUPAC name of N-(2,2-diethoxyethyl)-4-methylpiperidine-1-carboxamide (CID 79547641) is N-(2,2-diethoxyethyl)-4-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-(2,2-diethoxyethyl)-4-methylpiperidine-1-carboxamide?
The canonical SMILES for N-(2,2-diethoxyethyl)-4-methylpiperidine-1-carboxamide is CCOC(CNC(=O)N1CCC(C)CC1)OCC.
What is the InChIKey of N-(2,2-diethoxyethyl)-4-methylpiperidine-1-carboxamide?
The InChIKey is VKPUNRAHSLNTCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-4-17-12(18-5-2)10-14-13(16)15-8-6-11(3)7-9-15/h11-12H,4-10H2,1-3H3,(H,14,16).
What are the key properties of N-(2,2-diethoxyethyl)-4-methylpiperidine-1-carboxamide?
N-(2,2-diethoxyethyl)-4-methylpiperidine-1-carboxamide has a molecular weight of 258.36 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-diethoxyethyl)-4-methylpiperidine-1-carboxamide is sourced from PubChem (CID 79547641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).