N-(2-methoxyethyl)-1-(2-methylcyclohexa-1,5-dien-1-yl)piperidine-4-carboxamide

C16H26N2O2 — CID 71047338

IUPACN-(2-methoxyethyl)-1-(2-methylcyclohexa-1,5-dien-1-yl)piperidine-4-carboxamide
SMILESCOCCNC(=O)C1CCN(C2=C(C)CCC=C2)CC1
InChIInChI=1S/C16H26N2O2/c1-13-5-3-4-6-15(13)18-10-7-14(8-11-18)16(19)17-9-12-20-2/h4,6,14H,3,5,7-12H2,1-2H3,(H,17,19)
InChIKeyPJDAFXOZUFFHDD-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.09
Rot. Bonds5

About N-(2-methoxyethyl)-1-(2-methylcyclohexa-1,5-dien-1-yl)piperidine-4-carboxamide

N-(2-methoxyethyl)-1-(2-methylcyclohexa-1,5-dien-1-yl)piperidine-4-carboxamide (PubChem CID 71047338) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-(2-methoxyethyl)-1-(2-methylcyclohexa-1,5-dien-1-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-1-(2-methylcyclohexa-1,5-dien-1-yl)piperidine-4-carboxamide
PubChem CID71047338
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-(2-methoxyethyl)-1-(2-methylcyclohexa-1,5-dien-1-yl)piperidine-4-carboxamide
SMILESCOCCNC(=O)C1CCN(C2=C(C)CCC=C2)CC1
InChIInChI=1S/C16H26N2O2/c1-13-5-3-4-6-15(13)18-10-7-14(8-11-18)16(19)17-9-12-20-2/h4,6,14H,3,5,7-12H2,1-2H3,(H,17,19)
InChIKeyPJDAFXOZUFFHDD-UHFFFAOYSA-N
XLogP2.09
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.09
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

Cambridge id 6578224
CID 2903407
(3E)-2-methyl-4-methylidene-3-[[methyl(piperidin-4-ylmethyl)amino]methylidene]-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexa-1,5-diene-1-carboxamide
CID 144747424
3-[1-(3-cyclohexen-1-ylcarbonyl)-4-piperidinyl]-N-(2-methoxyethyl)propanamide
CID 45235465
1,6-Diazatricyclo[9.4.0.03,8]pentadeca-8,10,12-trien-2-one
CID 67517695
(1S)-3-methyl-N-(2-morpholin-4-ylethyl)cyclohexa-2,4-diene-1-carboxamide
CID 68092288
N-[4-(methoxymethyl)-4-piperidin-1-ylcyclohexa-1,5-dien-1-yl]propanamide
CID 69329912
5-amino-N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3,5-dimethylcyclohexa-1,3-dien-1-yl]pentanamide
CID 70892580
N-[(3E)-7-(2,6-dimethylmorpholin-4-yl)-6-methyl-7-oxohepta-1,3-dien-3-yl]formamide
CID 89215083
2-amino-3-methyl-N-(6-morpholin-4-ylcyclohexa-1,5-dien-1-yl)pentanamide
CID 90968486
N-(2-methoxyethyl)-3,9-dimethyl-2-(piperidin-4-ylmethyl)-3,4-dihydro-2-benzazepine-8-carboxamide
CID 123257785
9-ethyl-N-(2-methoxyethyl)-3-methyl-2-(piperidin-4-ylmethyl)-3,4-dihydro-2-benzazepine-8-carboxamide
CID 123563182
(3E)-N-[2-(cyclopropylmethoxy)ethyl]-2-methyl-4-methylidene-3-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methylidene]cyclohexa-1,5-diene-1-carboxamide
CID 134188616

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-1-(2-methylcyclohexa-1,5-dien-1-yl)piperidine-4-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-1-(2-methylcyclohexa-1,5-dien-1-yl)piperidine-4-carboxamide (CID 71047338) is N-(2-methoxyethyl)-1-(2-methylcyclohexa-1,5-dien-1-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-1-(2-methylcyclohexa-1,5-dien-1-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-1-(2-methylcyclohexa-1,5-dien-1-yl)piperidine-4-carboxamide is COCCNC(=O)C1CCN(C2=C(C)CCC=C2)CC1.
What is the InChIKey of N-(2-methoxyethyl)-1-(2-methylcyclohexa-1,5-dien-1-yl)piperidine-4-carboxamide?
The InChIKey is PJDAFXOZUFFHDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-13-5-3-4-6-15(13)18-10-7-14(8-11-18)16(19)17-9-12-20-2/h4,6,14H,3,5,7-12H2,1-2H3,(H,17,19).
What are the key properties of N-(2-methoxyethyl)-1-(2-methylcyclohexa-1,5-dien-1-yl)piperidine-4-carboxamide?
N-(2-methoxyethyl)-1-(2-methylcyclohexa-1,5-dien-1-yl)piperidine-4-carboxamide has a molecular weight of 278.40 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-1-(2-methylcyclohexa-1,5-dien-1-yl)piperidine-4-carboxamide is sourced from PubChem (CID 71047338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).