N-(2-methoxyethyl)-6-methyl-1-(piperidin-4-ylmethyl)piperidine-3-carboxamide

C16H31N3O2 — CID 119930805

IUPACN-(2-methoxyethyl)-6-methyl-1-(piperidin-4-ylmethyl)piperidine-3-carboxamide
SMILESCOCCNC(=O)C1CCC(C)N(CC2CCNCC2)C1
InChIInChI=1S/C16H31N3O2/c1-13-3-4-15(16(20)18-9-10-21-2)12-19(13)11-14-5-7-17-8-6-14/h13-15,17H,3-12H2,1-2H3,(H,18,20)
InChIKeyMSMOHYXTBHUKHG-UHFFFAOYSA-N
MW297.44 g/mol
LogP0.85
Rot. Bonds6

About N-(2-methoxyethyl)-6-methyl-1-(piperidin-4-ylmethyl)piperidine-3-carboxamide

N-(2-methoxyethyl)-6-methyl-1-(piperidin-4-ylmethyl)piperidine-3-carboxamide (PubChem CID 119930805) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is N-(2-methoxyethyl)-6-methyl-1-(piperidin-4-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-6-methyl-1-(piperidin-4-ylmethyl)piperidine-3-carboxamide
PubChem CID119930805
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC NameN-(2-methoxyethyl)-6-methyl-1-(piperidin-4-ylmethyl)piperidine-3-carboxamide
SMILESCOCCNC(=O)C1CCC(C)N(CC2CCNCC2)C1
InChIInChI=1S/C16H31N3O2/c1-13-3-4-15(16(20)18-9-10-21-2)12-19(13)11-14-5-7-17-8-6-14/h13-15,17H,3-12H2,1-2H3,(H,18,20)
InChIKeyMSMOHYXTBHUKHG-UHFFFAOYSA-N
XLogP0.85
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3S)-N-(2-methoxyethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 165429633
2-[5-(2-methoxyethylcarbamoyl)-2-methylpiperidine-1-carbonyl]cyclobutane-1-carboxylic acid
CID 120975412
6-methyl-1-(pyrrolidin-3-ylmethyl)piperidine-3-carboxamide
CID 62370528
3-[[5-(2-methoxyethylcarbamoyl)-2-methylpiperidine-1-carbonyl]amino]propanoic acid
CID 122019084
N-(2-methoxyethyl)-2-(piperidin-4-ylmethylsulfonyl)acetamide
CID 82181995
(3R,6S)-3-N-(2-methoxyethyl)-6-methyl-1-N-phenylpiperidine-1,3-dicarboxamide
CID 95150630
N-[2-[[N-(2-methoxyethyl)-N'-methylcarbamimidoyl]amino]ethyl]cyclopropanecarboxamide
CID 110940168
(3R,6R)-1-(4-ethylbenzoyl)-N-(2-methoxyethyl)-6-methylpiperidine-3-carboxamide
CID 94671477
N-(3-ethoxypropyl)-1-(piperidin-4-ylmethyl)piperidine-4-carboxamide
CID 119930228
2-methoxyethyl N-(piperidin-4-ylmethyl)carbamate
CID 145158678
(3R,6S)-N-(2-methoxyethyl)-6-methyl-1-(4-methylthiophene-3-carbonyl)piperidine-3-carboxamide
CID 97221330
(3S,6S)-1-(3,4-difluorobenzoyl)-N-(2-methoxyethyl)-6-methylpiperidine-3-carboxamide
CID 94671496

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-6-methyl-1-(piperidin-4-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-6-methyl-1-(piperidin-4-ylmethyl)piperidine-3-carboxamide (CID 119930805) is N-(2-methoxyethyl)-6-methyl-1-(piperidin-4-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-6-methyl-1-(piperidin-4-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-6-methyl-1-(piperidin-4-ylmethyl)piperidine-3-carboxamide is COCCNC(=O)C1CCC(C)N(CC2CCNCC2)C1.
What is the InChIKey of N-(2-methoxyethyl)-6-methyl-1-(piperidin-4-ylmethyl)piperidine-3-carboxamide?
The InChIKey is MSMOHYXTBHUKHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-13-3-4-15(16(20)18-9-10-21-2)12-19(13)11-14-5-7-17-8-6-14/h13-15,17H,3-12H2,1-2H3,(H,18,20).
What are the key properties of N-(2-methoxyethyl)-6-methyl-1-(piperidin-4-ylmethyl)piperidine-3-carboxamide?
N-(2-methoxyethyl)-6-methyl-1-(piperidin-4-ylmethyl)piperidine-3-carboxamide has a molecular weight of 297.44 g/mol, XLogP of 0.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-6-methyl-1-(piperidin-4-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 119930805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).