ethyl 4-[(2-methyl-3-piperidin-1-ylpropyl)amino]-4-oxobutanoate

C15H28N2O3 — CID 61243779

IUPACethyl 4-[(2-methyl-3-piperidin-1-ylpropyl)amino]-4-oxobutanoate
SMILESCCOC(=O)CCC(=O)NCC(C)CN1CCCCC1
InChIInChI=1S/C15H28N2O3/c1-3-20-15(19)8-7-14(18)16-11-13(2)12-17-9-5-4-6-10-17/h13H,3-12H2,1-2H3,(H,16,18)
InChIKeyQYNJMSUAYJDIQN-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.57
Rot. Bonds8

About ethyl 4-[(2-methyl-3-piperidin-1-ylpropyl)amino]-4-oxobutanoate

ethyl 4-[(2-methyl-3-piperidin-1-ylpropyl)amino]-4-oxobutanoate (PubChem CID 61243779) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is ethyl 4-[(2-methyl-3-piperidin-1-ylpropyl)amino]-4-oxobutanoate.

Molecular Properties

Compound Nameethyl 4-[(2-methyl-3-piperidin-1-ylpropyl)amino]-4-oxobutanoate
PubChem CID61243779
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Nameethyl 4-[(2-methyl-3-piperidin-1-ylpropyl)amino]-4-oxobutanoate
SMILESCCOC(=O)CCC(=O)NCC(C)CN1CCCCC1
InChIInChI=1S/C15H28N2O3/c1-3-20-15(19)8-7-14(18)16-11-13(2)12-17-9-5-4-6-10-17/h13H,3-12H2,1-2H3,(H,16,18)
InChIKeyQYNJMSUAYJDIQN-UHFFFAOYSA-N
XLogP1.57
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
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

2-amino-N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide
CID 62060304
4-amino-N-(2-methyl-3-pyrrolidin-1-ylpropyl)butanamide
CID 62060306
5-amino-4-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pentanamide
CID 82012433
2-(ethylamino)-N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide
CID 62993703
2-methoxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide
CID 61061515
7-amino-N-(2-methyl-3-pyrrolidin-1-ylpropyl)heptanamide
CID 62060956
2-(2-aminoethoxy)-N-(2-methyl-3-piperidin-1-ylpropyl)acetamide
CID 79474135
ethyl 4-oxo-4-[(3-oxo-3-piperidin-1-ylpropyl)amino]butanoate
CID 115583830
N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide
CID 61062993
2-[(2-methylpropan-2-yl)oxy]-N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide
CID 112605287
ethyl 4-(2-methoxypropylamino)-4-oxobutanoate
CID 102694605
2-amino-3-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)butanamide
CID 54906618

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2-methyl-3-piperidin-1-ylpropyl)amino]-4-oxobutanoate?
The IUPAC name of ethyl 4-[(2-methyl-3-piperidin-1-ylpropyl)amino]-4-oxobutanoate (CID 61243779) is ethyl 4-[(2-methyl-3-piperidin-1-ylpropyl)amino]-4-oxobutanoate.
What is the SMILES notation for ethyl 4-[(2-methyl-3-piperidin-1-ylpropyl)amino]-4-oxobutanoate?
The canonical SMILES for ethyl 4-[(2-methyl-3-piperidin-1-ylpropyl)amino]-4-oxobutanoate is CCOC(=O)CCC(=O)NCC(C)CN1CCCCC1.
What is the InChIKey of ethyl 4-[(2-methyl-3-piperidin-1-ylpropyl)amino]-4-oxobutanoate?
The InChIKey is QYNJMSUAYJDIQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-3-20-15(19)8-7-14(18)16-11-13(2)12-17-9-5-4-6-10-17/h13H,3-12H2,1-2H3,(H,16,18).
What are the key properties of ethyl 4-[(2-methyl-3-piperidin-1-ylpropyl)amino]-4-oxobutanoate?
ethyl 4-[(2-methyl-3-piperidin-1-ylpropyl)amino]-4-oxobutanoate has a molecular weight of 284.40 g/mol, XLogP of 1.57, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2-methyl-3-piperidin-1-ylpropyl)amino]-4-oxobutanoate is sourced from PubChem (CID 61243779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).