N-(3-methoxypropyl)-1-(2-methylpropyl)piperidine-4-carboxamide

C14H28N2O2 — CID 2186986

IUPACN-(3-methoxypropyl)-1-(2-methylpropyl)piperidine-4-carboxamide
SMILESCOCCCNC(=O)C1CCN(CC(C)C)CC1
InChIInChI=1S/C14H28N2O2/c1-12(2)11-16-8-5-13(6-9-16)14(17)15-7-4-10-18-3/h12-13H,4-11H2,1-3H3,(H,15,17)
InChIKeyHYYYDVQHIJCKGE-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.51
Rot. Bonds7

About N-(3-methoxypropyl)-1-(2-methylpropyl)piperidine-4-carboxamide

N-(3-methoxypropyl)-1-(2-methylpropyl)piperidine-4-carboxamide (PubChem CID 2186986) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is N-(3-methoxypropyl)-1-(2-methylpropyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-1-(2-methylpropyl)piperidine-4-carboxamide
PubChem CID2186986
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC NameN-(3-methoxypropyl)-1-(2-methylpropyl)piperidine-4-carboxamide
SMILESCOCCCNC(=O)C1CCN(CC(C)C)CC1
InChIInChI=1S/C14H28N2O2/c1-12(2)11-16-8-5-13(6-9-16)14(17)15-7-4-10-18-3/h12-13H,4-11H2,1-3H3,(H,15,17)
InChIKeyHYYYDVQHIJCKGE-UHFFFAOYSA-N
XLogP1.51
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,N-Diethyl-4-piperidinecarboxamide
CID 410920
N,N-dimethylpiperidine-4-carboxamide
CID 411689
N-[3-(dimethylamino)propyl]piperidine-4-carboxamide
CID 2186960
4-(4-Piperidinylcarbonyl)Morpholine
CID 1520211
1-(2-Methoxyethyl)piperidine-4-carboxamide
CID 44116876
N,N-dimethylpiperidine-4-carboxamide hydrochloride
CID 19872414
1-Acetylpiperidine-4-carboxamide
CID 18474173
N-(3-ethoxypropyl)piperidine-4-carboxamide
CID 16770022
1-[(diisobutylamino)sulfonyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 3241773
N~4~-(3-ethoxypropyl)-N~1~,N~1~-dimethylpiperidine-1,4-dicarboxamide
CID 3236681
1-[(diisobutylamino)sulfonyl]-N-(3-ethoxypropyl)piperidine-4-carboxamide
CID 3239925
N~1~,N~1~-dimethyl-N~4~-(3-methylbutyl)piperidine-1,4-dicarboxamide
CID 3243850

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-1-(2-methylpropyl)piperidine-4-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-1-(2-methylpropyl)piperidine-4-carboxamide (CID 2186986) is N-(3-methoxypropyl)-1-(2-methylpropyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-1-(2-methylpropyl)piperidine-4-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-1-(2-methylpropyl)piperidine-4-carboxamide is COCCCNC(=O)C1CCN(CC(C)C)CC1.
What is the InChIKey of N-(3-methoxypropyl)-1-(2-methylpropyl)piperidine-4-carboxamide?
The InChIKey is HYYYDVQHIJCKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-12(2)11-16-8-5-13(6-9-16)14(17)15-7-4-10-18-3/h12-13H,4-11H2,1-3H3,(H,15,17).
What are the key properties of N-(3-methoxypropyl)-1-(2-methylpropyl)piperidine-4-carboxamide?
N-(3-methoxypropyl)-1-(2-methylpropyl)piperidine-4-carboxamide has a molecular weight of 256.39 g/mol, XLogP of 1.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-1-(2-methylpropyl)piperidine-4-carboxamide is sourced from PubChem (CID 2186986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).