ethyl 3-[(2-piperidin-4-ylacetyl)amino]-3-pyridin-2-ylpropanoate

C17H25N3O3 — CID 67241490

IUPACethyl 3-[(2-piperidin-4-ylacetyl)amino]-3-pyridin-2-ylpropanoate
SMILESCCOC(=O)CC(NC(=O)CC1CCNCC1)c1ccccn1
InChIInChI=1S/C17H25N3O3/c1-2-23-17(22)12-15(14-5-3-4-8-19-14)20-16(21)11-13-6-9-18-10-7-13/h3-5,8,13,15,18H,2,6-7,9-12H2,1H3,(H,20,21)
InChIKeyBWZPZQVSRAUPRK-UHFFFAOYSA-N
MW319.41 g/mol
LogP1.58
Rot. Bonds7

About ethyl 3-[(2-piperidin-4-ylacetyl)amino]-3-pyridin-2-ylpropanoate

ethyl 3-[(2-piperidin-4-ylacetyl)amino]-3-pyridin-2-ylpropanoate (PubChem CID 67241490) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is ethyl 3-[(2-piperidin-4-ylacetyl)amino]-3-pyridin-2-ylpropanoate.

Molecular Properties

Compound Nameethyl 3-[(2-piperidin-4-ylacetyl)amino]-3-pyridin-2-ylpropanoate
PubChem CID67241490
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC Nameethyl 3-[(2-piperidin-4-ylacetyl)amino]-3-pyridin-2-ylpropanoate
SMILESCCOC(=O)CC(NC(=O)CC1CCNCC1)c1ccccn1
InChIInChI=1S/C17H25N3O3/c1-2-23-17(22)12-15(14-5-3-4-8-19-14)20-16(21)11-13-6-9-18-10-7-13/h3-5,8,13,15,18H,2,6-7,9-12H2,1H3,(H,20,21)
InChIKeyBWZPZQVSRAUPRK-UHFFFAOYSA-N
XLogP1.58
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-piperidin-4-yl-N-(1-pyridin-2-ylethyl)acetamide
CID 54910208
ethyl 3-[[2-(1-methylpiperidin-4-yl)acetyl]amino]-3-pyridin-2-ylpropanoate;ethyl 2-[3-[(1-methylpiperidin-4-yl)methyl]imidazo[1,5-a]pyridin-1-yl]acetate
CID 158804801
2-piperidin-4-yl-N-pyridin-2-ylacetamide;dihydrochloride
CID 119827189
2-(azetidin-3-yl)-N-[(1S)-1-pyridin-2-ylethyl]acetamide
CID 81406682
N-(2,2-dimethyl-1-phenylpropyl)-2-piperidin-4-ylacetamide
CID 61029465
ethyl 3-(4-fluorophenyl)-3-(3-piperidin-4-ylbutanoylamino)propanoate
CID 119755362
N-[1-(4-methoxyphenyl)propyl]-2-piperidin-4-ylacetamide
CID 61029711
ethyl 3-(4-fluorophenyl)-3-(3-piperidin-4-ylbutanoylamino)propanoate;hydrochloride
CID 119755361
ethyl 2-piperidin-4-ylacetate;ethyl 2-pyridin-4-ylacetate
CID 157278253
2-[1-(2-phenylacetyl)piperidin-4-yl]-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 92634093
ethyl (3S)-3-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-3-pyridin-2-ylpropanoate
CID 101157279
ethyl N-(dipyridin-2-ylmethyl)carbamate
CID 162768521

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(2-piperidin-4-ylacetyl)amino]-3-pyridin-2-ylpropanoate?
The IUPAC name of ethyl 3-[(2-piperidin-4-ylacetyl)amino]-3-pyridin-2-ylpropanoate (CID 67241490) is ethyl 3-[(2-piperidin-4-ylacetyl)amino]-3-pyridin-2-ylpropanoate.
What is the SMILES notation for ethyl 3-[(2-piperidin-4-ylacetyl)amino]-3-pyridin-2-ylpropanoate?
The canonical SMILES for ethyl 3-[(2-piperidin-4-ylacetyl)amino]-3-pyridin-2-ylpropanoate is CCOC(=O)CC(NC(=O)CC1CCNCC1)c1ccccn1.
What is the InChIKey of ethyl 3-[(2-piperidin-4-ylacetyl)amino]-3-pyridin-2-ylpropanoate?
The InChIKey is BWZPZQVSRAUPRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-2-23-17(22)12-15(14-5-3-4-8-19-14)20-16(21)11-13-6-9-18-10-7-13/h3-5,8,13,15,18H,2,6-7,9-12H2,1H3,(H,20,21).
What are the key properties of ethyl 3-[(2-piperidin-4-ylacetyl)amino]-3-pyridin-2-ylpropanoate?
ethyl 3-[(2-piperidin-4-ylacetyl)amino]-3-pyridin-2-ylpropanoate has a molecular weight of 319.41 g/mol, XLogP of 1.58, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(2-piperidin-4-ylacetyl)amino]-3-pyridin-2-ylpropanoate is sourced from PubChem (CID 67241490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).