4-ethoxy-N-[(1-methylpyrrolidin-2-yl)methyl]piperidine-1-carboxamide

C14H27N3O2 — CID 47079667

IUPAC4-ethoxy-N-[(1-methylpyrrolidin-2-yl)methyl]piperidine-1-carboxamide
SMILESCCOC1CCN(C(=O)NCC2CCCN2C)CC1
InChIInChI=1S/C14H27N3O2/c1-3-19-13-6-9-17(10-7-13)14(18)15-11-12-5-4-8-16(12)2/h12-13H,3-11H2,1-2H3,(H,15,18)
InChIKeyXWGPUTSXTDLNHZ-UHFFFAOYSA-N
MW269.39 g/mol
LogP1.29
Rot. Bonds4

About 4-ethoxy-N-[(1-methylpyrrolidin-2-yl)methyl]piperidine-1-carboxamide

4-ethoxy-N-[(1-methylpyrrolidin-2-yl)methyl]piperidine-1-carboxamide (PubChem CID 47079667) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 4-ethoxy-N-[(1-methylpyrrolidin-2-yl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-ethoxy-N-[(1-methylpyrrolidin-2-yl)methyl]piperidine-1-carboxamide
PubChem CID47079667
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name4-ethoxy-N-[(1-methylpyrrolidin-2-yl)methyl]piperidine-1-carboxamide
SMILESCCOC1CCN(C(=O)NCC2CCCN2C)CC1
InChIInChI=1S/C14H27N3O2/c1-3-19-13-6-9-17(10-7-13)14(18)15-11-12-5-4-8-16(12)2/h12-13H,3-11H2,1-2H3,(H,15,18)
InChIKeyXWGPUTSXTDLNHZ-UHFFFAOYSA-N
XLogP1.29
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 ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[(1-methylpyrrolidin-2-yl)methyl]piperidine-1-carboxamide?
The IUPAC name of 4-ethoxy-N-[(1-methylpyrrolidin-2-yl)methyl]piperidine-1-carboxamide (CID 47079667) is 4-ethoxy-N-[(1-methylpyrrolidin-2-yl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-ethoxy-N-[(1-methylpyrrolidin-2-yl)methyl]piperidine-1-carboxamide?
The canonical SMILES for 4-ethoxy-N-[(1-methylpyrrolidin-2-yl)methyl]piperidine-1-carboxamide is CCOC1CCN(C(=O)NCC2CCCN2C)CC1.
What is the InChIKey of 4-ethoxy-N-[(1-methylpyrrolidin-2-yl)methyl]piperidine-1-carboxamide?
The InChIKey is XWGPUTSXTDLNHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-3-19-13-6-9-17(10-7-13)14(18)15-11-12-5-4-8-16(12)2/h12-13H,3-11H2,1-2H3,(H,15,18).
What are the key properties of 4-ethoxy-N-[(1-methylpyrrolidin-2-yl)methyl]piperidine-1-carboxamide?
4-ethoxy-N-[(1-methylpyrrolidin-2-yl)methyl]piperidine-1-carboxamide has a molecular weight of 269.39 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[(1-methylpyrrolidin-2-yl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 47079667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).