ethyl (3R)-1-[2-[2-hydroxyethyl(propyl)amino]acetyl]piperidine-3-carboxylate

C15H28N2O4 — CID 94458961

IUPACethyl (3R)-1-[2-[2-hydroxyethyl(propyl)amino]acetyl]piperidine-3-carboxylate
SMILESCCCN(CCO)CC(=O)N1CCC[C@@H](C(=O)OCC)C1
InChIInChI=1S/C15H28N2O4/c1-3-7-16(9-10-18)12-14(19)17-8-5-6-13(11-17)15(20)21-4-2/h13,18H,3-12H2,1-2H3/t13-/m1/s1
InChIKeyIUCNXBUWZCLHQL-CYBMUJFWSA-N
MW300.40 g/mol
LogP0.49
Rot. Bonds8

About ethyl (3R)-1-[2-[2-hydroxyethyl(propyl)amino]acetyl]piperidine-3-carboxylate

ethyl (3R)-1-[2-[2-hydroxyethyl(propyl)amino]acetyl]piperidine-3-carboxylate (PubChem CID 94458961) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is ethyl (3R)-1-[2-[2-hydroxyethyl(propyl)amino]acetyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3R)-1-[2-[2-hydroxyethyl(propyl)amino]acetyl]piperidine-3-carboxylate
PubChem CID94458961
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC Nameethyl (3R)-1-[2-[2-hydroxyethyl(propyl)amino]acetyl]piperidine-3-carboxylate
SMILESCCCN(CCO)CC(=O)N1CCC[C@@H](C(=O)OCC)C1
InChIInChI=1S/C15H28N2O4/c1-3-7-16(9-10-18)12-14(19)17-8-5-6-13(11-17)15(20)21-4-2/h13,18H,3-12H2,1-2H3/t13-/m1/s1
InChIKeyIUCNXBUWZCLHQL-CYBMUJFWSA-N
XLogP0.49
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-[2-[(2-methoxy-2-oxoethyl)-propylamino]acetyl]piperidine-3-carboxylate
CID 51107839
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
1-[2-[butyl(2-hydroxyethyl)amino]acetyl]piperidine-3-carboxamide
CID 60689284
ethyl (3R)-1-(2-propoxyacetyl)piperidine-3-carboxylate
CID 103783648
ethyl 1-[2-(2-hydroxyethoxy)acetyl]piperidine-3-carboxylate
CID 110678236
ethyl 1-(2-methoxyacetyl)piperidine-3-carboxylate
CID 4778007
ethyl 1-hexanoylpiperidine-3-carboxylate
CID 43409441
ethyl 1-(2-cyclopropylacetyl)piperidine-3-carboxylate
CID 43424044
2-[2-(3-ethoxycarbonylpiperidin-1-yl)-2-oxoethoxy]acetic acid
CID 60662012
ethyl (3S)-1-nonanoylpiperidine-3-carboxylate
CID 81338255
ethyl 1-(3-chloropropanoyl)piperidine-3-carboxylate
CID 24700551

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-1-[2-[2-hydroxyethyl(propyl)amino]acetyl]piperidine-3-carboxylate?
The IUPAC name of ethyl (3R)-1-[2-[2-hydroxyethyl(propyl)amino]acetyl]piperidine-3-carboxylate (CID 94458961) is ethyl (3R)-1-[2-[2-hydroxyethyl(propyl)amino]acetyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl (3R)-1-[2-[2-hydroxyethyl(propyl)amino]acetyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl (3R)-1-[2-[2-hydroxyethyl(propyl)amino]acetyl]piperidine-3-carboxylate is CCCN(CCO)CC(=O)N1CCC[C@@H](C(=O)OCC)C1.
What is the InChIKey of ethyl (3R)-1-[2-[2-hydroxyethyl(propyl)amino]acetyl]piperidine-3-carboxylate?
The InChIKey is IUCNXBUWZCLHQL-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H28N2O4/c1-3-7-16(9-10-18)12-14(19)17-8-5-6-13(11-17)15(20)21-4-2/h13,18H,3-12H2,1-2H3/t13-/m1/s1.
What are the key properties of ethyl (3R)-1-[2-[2-hydroxyethyl(propyl)amino]acetyl]piperidine-3-carboxylate?
ethyl (3R)-1-[2-[2-hydroxyethyl(propyl)amino]acetyl]piperidine-3-carboxylate has a molecular weight of 300.40 g/mol, XLogP of 0.49, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-1-[2-[2-hydroxyethyl(propyl)amino]acetyl]piperidine-3-carboxylate is sourced from PubChem (CID 94458961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).