1-decyl-N-ethyl-N-methylpiperidine-3-carboxamide

C19H38N2O — CID 90679730

IUPAC1-decyl-N-ethyl-N-methylpiperidine-3-carboxamide
SMILESCCCCCCCCCCN1CCCC(C(=O)N(C)CC)C1
InChIInChI=1S/C19H38N2O/c1-4-6-7-8-9-10-11-12-15-21-16-13-14-18(17-21)19(22)20(3)5-2/h18H,4-17H2,1-3H3
InChIKeyYXLLRNGIFYOCKA-UHFFFAOYSA-N
MW310.53 g/mol
LogP4.32
Rot. Bonds11

About 1-decyl-N-ethyl-N-methylpiperidine-3-carboxamide

1-decyl-N-ethyl-N-methylpiperidine-3-carboxamide (PubChem CID 90679730) has the molecular formula C19H38N2O and a molecular weight of 310.53 g/mol. Its IUPAC name is 1-decyl-N-ethyl-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-decyl-N-ethyl-N-methylpiperidine-3-carboxamide
PubChem CID90679730
Molecular FormulaC19H38N2O
Molecular Weight310.53 g/mol
Exact Mass310.30
IUPAC Name1-decyl-N-ethyl-N-methylpiperidine-3-carboxamide
SMILESCCCCCCCCCCN1CCCC(C(=O)N(C)CC)C1
InChIInChI=1S/C19H38N2O/c1-4-6-7-8-9-10-11-12-15-21-16-13-14-18(17-21)19(22)20(3)5-2/h18H,4-17H2,1-3H3
InChIKeyYXLLRNGIFYOCKA-UHFFFAOYSA-N
XLogP4.32
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.53
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl (3S)-1-decylpiperidine-3-carboxylate
CID 115537543
(3S)-1-dodecylpiperidine-3-carboxamide
CID 98141559
N,1-dimethyl-N-octylpiperidine-3-carboxamide
CID 14306886
N-hexyl-1-[[4-[[3-[hexyl(methyl)carbamoyl]piperidin-1-yl]methyl]phenyl]methyl]-N-methylpiperidine-3-carboxamide
CID 10257104
ethyl (3S)-1-hexylpiperidine-3-carboxylate
CID 81337885
1-(4-hydroxybutyl)-N,N-dimethylpiperidine-3-carboxamide
CID 110931950
ethyl 1-dodecylpiperidine-3-carboxylate;hydrochloride
CID 117069127
N-(2-methoxyethyl)-N-methyl-1-propylpiperidine-3-carboxamide
CID 59535798
N-but-3-enyl-N-methyl-1-propylpiperidine-3-carboxamide
CID 89024012
1-butyl-N-propylpiperidine-3-carboxamide
CID 60606926
[(3R)-1-decylpiperidin-3-yl]-morpholin-4-ylmethanone
CID 125473797
N-(1-heptylpiperidin-3-yl)acetamide
CID 21122308

Frequently Asked Questions

What is the IUPAC name of 1-decyl-N-ethyl-N-methylpiperidine-3-carboxamide?
The IUPAC name of 1-decyl-N-ethyl-N-methylpiperidine-3-carboxamide (CID 90679730) is 1-decyl-N-ethyl-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-decyl-N-ethyl-N-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-decyl-N-ethyl-N-methylpiperidine-3-carboxamide is CCCCCCCCCCN1CCCC(C(=O)N(C)CC)C1.
What is the InChIKey of 1-decyl-N-ethyl-N-methylpiperidine-3-carboxamide?
The InChIKey is YXLLRNGIFYOCKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2O/c1-4-6-7-8-9-10-11-12-15-21-16-13-14-18(17-21)19(22)20(3)5-2/h18H,4-17H2,1-3H3.
What are the key properties of 1-decyl-N-ethyl-N-methylpiperidine-3-carboxamide?
1-decyl-N-ethyl-N-methylpiperidine-3-carboxamide has a molecular weight of 310.53 g/mol, XLogP of 4.32, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-decyl-N-ethyl-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 90679730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).