N-(2-methoxyethyl)-3-(prop-2-ynoxymethyl)piperidine-1-carboxamide

C13H22N2O3 — CID 90505607

IUPACN-(2-methoxyethyl)-3-(prop-2-ynoxymethyl)piperidine-1-carboxamide
SMILESC#CCOCC1CCCN(C(=O)NCCOC)C1
InChIInChI=1S/C13H22N2O3/c1-3-8-18-11-12-5-4-7-15(10-12)13(16)14-6-9-17-2/h1,12H,4-11H2,2H3,(H,14,16)
InChIKeyUIFOMNSSNQTHKB-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.70
Rot. Bonds6

About N-(2-methoxyethyl)-3-(prop-2-ynoxymethyl)piperidine-1-carboxamide

N-(2-methoxyethyl)-3-(prop-2-ynoxymethyl)piperidine-1-carboxamide (PubChem CID 90505607) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-(prop-2-ynoxymethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-(prop-2-ynoxymethyl)piperidine-1-carboxamide
PubChem CID90505607
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC NameN-(2-methoxyethyl)-3-(prop-2-ynoxymethyl)piperidine-1-carboxamide
SMILESC#CCOCC1CCCN(C(=O)NCCOC)C1
InChIInChI=1S/C13H22N2O3/c1-3-8-18-11-12-5-4-7-15(10-12)13(16)14-6-9-17-2/h1,12H,4-11H2,2H3,(H,14,16)
InChIKeyUIFOMNSSNQTHKB-UHFFFAOYSA-N
XLogP0.70
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S)-1-(2-methoxyethylcarbamoyl)piperidine-3-carboxylic acid
CID 28512077
N-(3-methylphenyl)-3-(prop-2-ynoxymethyl)piperidine-1-carboxamide
CID 90505574
(3R)-1-[2-(2-methoxyethoxy)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 81119985
3-phenylsulfanyl-1-[3-(prop-2-ynoxymethyl)piperidin-1-yl]propan-1-one
CID 90505291
N-(2-methoxyethyl)-3,4-dimethylpiperazine-1-carboxamide
CID 167088370
2-(3,4-dimethoxyphenyl)-1-[3-(prop-2-ynoxymethyl)piperidin-1-yl]ethanone
CID 90505418
3-(methoxymethyl)-N-methylpiperidine-1-carboxamide
CID 103663303
4-amino-N-(2-methoxyethyl)piperidine-1-carboxamide
CID 122417506
2-(4-chlorophenoxy)-1-[3-(prop-2-ynoxymethyl)piperidin-1-yl]ethanone
CID 90505402
(3S)-3-[[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]methyl]-N-(2-methoxyethyl)piperidine-1-carboxamide
CID 97283033
3-[[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]methyl]-N-(2-methoxyethyl)piperidine-1-carboxamide
CID 72920634
3-[3-(prop-2-ynoxymethyl)piperidine-1-carbonyl]-1H-pyridazin-6-one
CID 90505304

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-(prop-2-ynoxymethyl)piperidine-1-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-3-(prop-2-ynoxymethyl)piperidine-1-carboxamide (CID 90505607) is N-(2-methoxyethyl)-3-(prop-2-ynoxymethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-3-(prop-2-ynoxymethyl)piperidine-1-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-3-(prop-2-ynoxymethyl)piperidine-1-carboxamide is C#CCOCC1CCCN(C(=O)NCCOC)C1.
What is the InChIKey of N-(2-methoxyethyl)-3-(prop-2-ynoxymethyl)piperidine-1-carboxamide?
The InChIKey is UIFOMNSSNQTHKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-3-8-18-11-12-5-4-7-15(10-12)13(16)14-6-9-17-2/h1,12H,4-11H2,2H3,(H,14,16).
What are the key properties of N-(2-methoxyethyl)-3-(prop-2-ynoxymethyl)piperidine-1-carboxamide?
N-(2-methoxyethyl)-3-(prop-2-ynoxymethyl)piperidine-1-carboxamide has a molecular weight of 254.33 g/mol, XLogP of 0.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-(prop-2-ynoxymethyl)piperidine-1-carboxamide is sourced from PubChem (CID 90505607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).