ethyl 4-(methoxymethyl)-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine-4-carboxylate

C16H30N2O3 — CID 120905656

IUPACethyl 4-(methoxymethyl)-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1(COC)CCN(CC2(C)CCNC2)CC1
InChIInChI=1S/C16H30N2O3/c1-4-21-14(19)16(13-20-3)6-9-18(10-7-16)12-15(2)5-8-17-11-15/h17H,4-13H2,1-3H3
InChIKeyDZVSUYVLCLKEEK-UHFFFAOYSA-N
MW298.43 g/mol
LogP1.28
Rot. Bonds6

About ethyl 4-(methoxymethyl)-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine-4-carboxylate

ethyl 4-(methoxymethyl)-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine-4-carboxylate (PubChem CID 120905656) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is ethyl 4-(methoxymethyl)-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 4-(methoxymethyl)-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine-4-carboxylate
PubChem CID120905656
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Nameethyl 4-(methoxymethyl)-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1(COC)CCN(CC2(C)CCNC2)CC1
InChIInChI=1S/C16H30N2O3/c1-4-21-14(19)16(13-20-3)6-9-18(10-7-16)12-15(2)5-8-17-11-15/h17H,4-13H2,1-3H3
InChIKeyDZVSUYVLCLKEEK-UHFFFAOYSA-N
XLogP1.28
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(methoxymethyl)-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 4-(methoxymethyl)-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine-4-carboxylate (CID 120905656) is ethyl 4-(methoxymethyl)-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 4-(methoxymethyl)-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 4-(methoxymethyl)-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine-4-carboxylate is CCOC(=O)C1(COC)CCN(CC2(C)CCNC2)CC1.
What is the InChIKey of ethyl 4-(methoxymethyl)-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine-4-carboxylate?
The InChIKey is DZVSUYVLCLKEEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-4-21-14(19)16(13-20-3)6-9-18(10-7-16)12-15(2)5-8-17-11-15/h17H,4-13H2,1-3H3.
What are the key properties of ethyl 4-(methoxymethyl)-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine-4-carboxylate?
ethyl 4-(methoxymethyl)-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine-4-carboxylate has a molecular weight of 298.43 g/mol, XLogP of 1.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(methoxymethyl)-1-[(3-methylpyrrolidin-3-yl)methyl]piperidine-4-carboxylate is sourced from PubChem (CID 120905656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).