ethyl 1-[2-[(2-methoxy-2-oxoethyl)-propylamino]acetyl]piperidine-3-carboxylate

C16H28N2O5 — CID 51107839

IUPACethyl 1-[2-[(2-methoxy-2-oxoethyl)-propylamino]acetyl]piperidine-3-carboxylate
SMILESCCCN(CC(=O)OC)CC(=O)N1CCCC(C(=O)OCC)C1
InChIInChI=1S/C16H28N2O5/c1-4-8-17(12-15(20)22-3)11-14(19)18-9-6-7-13(10-18)16(21)23-5-2/h13H,4-12H2,1-3H3
InChIKeyVBUNJNBAJQHKIV-UHFFFAOYSA-N
MW328.41 g/mol
LogP0.67
Rot. Bonds8

About ethyl 1-[2-[(2-methoxy-2-oxoethyl)-propylamino]acetyl]piperidine-3-carboxylate

ethyl 1-[2-[(2-methoxy-2-oxoethyl)-propylamino]acetyl]piperidine-3-carboxylate (PubChem CID 51107839) has the molecular formula C16H28N2O5 and a molecular weight of 328.41 g/mol. Its IUPAC name is ethyl 1-[2-[(2-methoxy-2-oxoethyl)-propylamino]acetyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-[(2-methoxy-2-oxoethyl)-propylamino]acetyl]piperidine-3-carboxylate
PubChem CID51107839
Molecular FormulaC16H28N2O5
Molecular Weight328.41 g/mol
Exact Mass328.20
IUPAC Nameethyl 1-[2-[(2-methoxy-2-oxoethyl)-propylamino]acetyl]piperidine-3-carboxylate
SMILESCCCN(CC(=O)OC)CC(=O)N1CCCC(C(=O)OCC)C1
InChIInChI=1S/C16H28N2O5/c1-4-8-17(12-15(20)22-3)11-14(19)18-9-6-7-13(10-18)16(21)23-5-2/h13H,4-12H2,1-3H3
InChIKeyVBUNJNBAJQHKIV-UHFFFAOYSA-N
XLogP0.67
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl (3R)-1-[2-[2-hydroxyethyl(propyl)amino]acetyl]piperidine-3-carboxylate
CID 94458961
ethyl 1-(2-methoxyacetyl)piperidine-3-carboxylate
CID 4778007
3-O-ethyl 1-O-methyl (3S)-piperidine-1,3-dicarboxylate
CID 51681874
ethyl (3R)-1-(2-propoxyacetyl)piperidine-3-carboxylate
CID 103783648
ethyl 1-[2-[benzyl(2-hydroxyethyl)amino]acetyl]piperidine-3-carboxylate
CID 56809362
ethyl (3R)-1-[2-[benzyl(2-hydroxyethyl)amino]acetyl]piperidine-3-carboxylate
CID 95378613
ethyl 1-hexanoylpiperidine-3-carboxylate
CID 43409441
ethyl 1-(2-cyclopropylacetyl)piperidine-3-carboxylate
CID 43424044
ethyl 1-[2-(2-hydroxyethoxy)acetyl]piperidine-3-carboxylate
CID 110678236
ethyl (3S)-1-nonanoylpiperidine-3-carboxylate
CID 81338255
ethyl 1-[2-(2,2,2-trifluoroethylamino)acetyl]piperidine-3-carboxylate
CID 78914745
ethyl 1-(3-chloropropanoyl)piperidine-3-carboxylate
CID 24700551

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-[(2-methoxy-2-oxoethyl)-propylamino]acetyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[2-[(2-methoxy-2-oxoethyl)-propylamino]acetyl]piperidine-3-carboxylate (CID 51107839) is ethyl 1-[2-[(2-methoxy-2-oxoethyl)-propylamino]acetyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[2-[(2-methoxy-2-oxoethyl)-propylamino]acetyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[2-[(2-methoxy-2-oxoethyl)-propylamino]acetyl]piperidine-3-carboxylate is CCCN(CC(=O)OC)CC(=O)N1CCCC(C(=O)OCC)C1.
What is the InChIKey of ethyl 1-[2-[(2-methoxy-2-oxoethyl)-propylamino]acetyl]piperidine-3-carboxylate?
The InChIKey is VBUNJNBAJQHKIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O5/c1-4-8-17(12-15(20)22-3)11-14(19)18-9-6-7-13(10-18)16(21)23-5-2/h13H,4-12H2,1-3H3.
What are the key properties of ethyl 1-[2-[(2-methoxy-2-oxoethyl)-propylamino]acetyl]piperidine-3-carboxylate?
ethyl 1-[2-[(2-methoxy-2-oxoethyl)-propylamino]acetyl]piperidine-3-carboxylate has a molecular weight of 328.41 g/mol, XLogP of 0.67, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-[(2-methoxy-2-oxoethyl)-propylamino]acetyl]piperidine-3-carboxylate is sourced from PubChem (CID 51107839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).