N-(2-methoxyethyl)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide

C14H27N3O2 — CID 118303129

IUPACN-(2-methoxyethyl)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide
SMILESCOCCNC(=O)N1CCCC1C1CCN(C)CC1
InChIInChI=1S/C14H27N3O2/c1-16-9-5-12(6-10-16)13-4-3-8-17(13)14(18)15-7-11-19-2/h12-13H,3-11H2,1-2H3,(H,15,18)
InChIKeyOLUMPRCXTGCBNS-UHFFFAOYSA-N
MW269.39 g/mol
LogP1.15
Rot. Bonds4

About N-(2-methoxyethyl)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide

N-(2-methoxyethyl)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide (PubChem CID 118303129) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide
PubChem CID118303129
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC NameN-(2-methoxyethyl)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide
SMILESCOCCNC(=O)N1CCCC1C1CCN(C)CC1
InChIInChI=1S/C14H27N3O2/c1-16-9-5-12(6-10-16)13-4-3-8-17(13)14(18)15-7-11-19-2/h12-13H,3-11H2,1-2H3,(H,15,18)
InChIKeyOLUMPRCXTGCBNS-UHFFFAOYSA-N
XLogP1.15
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 51.15
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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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide (CID 118303129) is N-(2-methoxyethyl)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide is COCCNC(=O)N1CCCC1C1CCN(C)CC1.
What is the InChIKey of N-(2-methoxyethyl)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide?
The InChIKey is OLUMPRCXTGCBNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-16-9-5-12(6-10-16)13-4-3-8-17(13)14(18)15-7-11-19-2/h12-13H,3-11H2,1-2H3,(H,15,18).
What are the key properties of N-(2-methoxyethyl)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide?
N-(2-methoxyethyl)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide has a molecular weight of 269.39 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-(1-methylpiperidin-4-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 118303129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).