ethyl 2-[(3-ethylpiperidine-3-carbonyl)-propan-2-ylamino]acetate

C15H28N2O3 — CID 63131353

IUPACethyl 2-[(3-ethylpiperidine-3-carbonyl)-propan-2-ylamino]acetate
SMILESCCOC(=O)CN(C(=O)C1(CC)CCCNC1)C(C)C
InChIInChI=1S/C15H28N2O3/c1-5-15(8-7-9-16-11-15)14(19)17(12(3)4)10-13(18)20-6-2/h12,16H,5-11H2,1-4H3
InChIKeyVEEFWGWTNHTVOU-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.57
Rot. Bonds6

About ethyl 2-[(3-ethylpiperidine-3-carbonyl)-propan-2-ylamino]acetate

ethyl 2-[(3-ethylpiperidine-3-carbonyl)-propan-2-ylamino]acetate (PubChem CID 63131353) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is ethyl 2-[(3-ethylpiperidine-3-carbonyl)-propan-2-ylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[(3-ethylpiperidine-3-carbonyl)-propan-2-ylamino]acetate
PubChem CID63131353
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Nameethyl 2-[(3-ethylpiperidine-3-carbonyl)-propan-2-ylamino]acetate
SMILESCCOC(=O)CN(C(=O)C1(CC)CCCNC1)C(C)C
InChIInChI=1S/C15H28N2O3/c1-5-15(8-7-9-16-11-15)14(19)17(12(3)4)10-13(18)20-6-2/h12,16H,5-11H2,1-4H3
InChIKeyVEEFWGWTNHTVOU-UHFFFAOYSA-N
XLogP1.57
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(3-ethylpyrrolidine-3-carbonyl)-propan-2-ylamino]acetate
CID 55164952
3-ethyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 63131759
methyl 2-[(4-ethylpiperidine-4-carbonyl)-propan-2-ylamino]acetate
CID 63128303
3-ethyl-N-(2-methylpropyl)-N-propan-2-ylpyrrolidine-3-carboxamide
CID 63144055
2-methylpropyl 3-ethylpiperidine-3-carboxylate
CID 63137680
3-ethyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 63131429
N-(2-amino-2-oxoethyl)-N-propan-2-yl-3-propylpyrrolidine-3-carboxamide
CID 63138504
ethyl 4-[(3-ethylpiperidine-3-carbonyl)amino]butanoate
CID 64575035
2-[butan-2-yl-(3-ethylpyrrolidine-3-carbonyl)amino]acetic acid
CID 55164380
3-ethyl-N-(2-hydroxyethyl)-N-methylpiperidine-3-carboxamide
CID 63131049
2-[(3-ethylpiperidine-3-carbonyl)-propylamino]acetic acid
CID 63135315
ethyl 2-[cyclopropyl-(3-methylpiperidine-3-carbonyl)amino]acetate
CID 63131815

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3-ethylpiperidine-3-carbonyl)-propan-2-ylamino]acetate?
The IUPAC name of ethyl 2-[(3-ethylpiperidine-3-carbonyl)-propan-2-ylamino]acetate (CID 63131353) is ethyl 2-[(3-ethylpiperidine-3-carbonyl)-propan-2-ylamino]acetate.
What is the SMILES notation for ethyl 2-[(3-ethylpiperidine-3-carbonyl)-propan-2-ylamino]acetate?
The canonical SMILES for ethyl 2-[(3-ethylpiperidine-3-carbonyl)-propan-2-ylamino]acetate is CCOC(=O)CN(C(=O)C1(CC)CCCNC1)C(C)C.
What is the InChIKey of ethyl 2-[(3-ethylpiperidine-3-carbonyl)-propan-2-ylamino]acetate?
The InChIKey is VEEFWGWTNHTVOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-5-15(8-7-9-16-11-15)14(19)17(12(3)4)10-13(18)20-6-2/h12,16H,5-11H2,1-4H3.
What are the key properties of ethyl 2-[(3-ethylpiperidine-3-carbonyl)-propan-2-ylamino]acetate?
ethyl 2-[(3-ethylpiperidine-3-carbonyl)-propan-2-ylamino]acetate has a molecular weight of 284.40 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3-ethylpiperidine-3-carbonyl)-propan-2-ylamino]acetate is sourced from PubChem (CID 63131353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).