2-ethoxy-N-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-3-yl]acetamide

C17H27N5O2 — CID 53185796

IUPAC2-ethoxy-N-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-3-yl]acetamide
SMILESCCOCC(=O)NC1CCCN(c2cc(N3CCCC3)ncn2)C1
InChIInChI=1S/C17H27N5O2/c1-2-24-12-17(23)20-14-6-5-9-22(11-14)16-10-15(18-13-19-16)21-7-3-4-8-21/h10,13-14H,2-9,11-12H2,1H3,(H,20,23)
InChIKeyJEEBLANVVIUJBO-UHFFFAOYSA-N
MW333.44 g/mol
LogP1.20
Rot. Bonds6

About 2-ethoxy-N-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-3-yl]acetamide

2-ethoxy-N-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-3-yl]acetamide (PubChem CID 53185796) has the molecular formula C17H27N5O2 and a molecular weight of 333.44 g/mol. Its IUPAC name is 2-ethoxy-N-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-3-yl]acetamide.

Molecular Properties

Compound Name2-ethoxy-N-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-3-yl]acetamide
PubChem CID53185796
Molecular FormulaC17H27N5O2
Molecular Weight333.44 g/mol
Exact Mass333.22
IUPAC Name2-ethoxy-N-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-3-yl]acetamide
SMILESCCOCC(=O)NC1CCCN(c2cc(N3CCCC3)ncn2)C1
InChIInChI=1S/C17H27N5O2/c1-2-24-12-17(23)20-14-6-5-9-22(11-14)16-10-15(18-13-19-16)21-7-3-4-8-21/h10,13-14H,2-9,11-12H2,1H3,(H,20,23)
InChIKeyJEEBLANVVIUJBO-UHFFFAOYSA-N
XLogP1.20
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-ethoxy-N-(1-pyrimidin-2-ylpiperidin-3-yl)acetamide
CID 60793288
N-[1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]-2-(methylamino)acetamide;hydrochloride
CID 120704514
N-(3-methylcyclohexyl)-2-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]acetamide
CID 133293470
2-(3,5-dichloroanilino)-N-[1-[6-(ethylamino)pyrimidin-4-yl]piperidin-3-yl]acetamide
CID 67066791
2-(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)-N-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-3-yl]acetamide
CID 154849852
N-[(3R)-1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]-2-(4-fluorophenyl)acetamide
CID 95107896
3-(3-but-3-ynyldiazirin-3-yl)-N-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-3-yl]propanamide
CID 166409269
N-[(3S)-1-[6-(dimethylamino)pyrimidin-4-yl]piperidin-3-yl]-2-(2-methylphenyl)acetamide
CID 95107912
2-ethoxy-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]acetamide
CID 52557964
1-[(3R)-1-(6-ethoxypyrimidin-4-yl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide
CID 129488821
tert-butyl N-[1-(6-tert-butylpyrimidin-4-yl)piperidin-3-yl]carbamate
CID 126849999
N-methyl-1-(6-methylpyrimidin-4-yl)piperidin-3-amine
CID 62545669

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-3-yl]acetamide?
The IUPAC name of 2-ethoxy-N-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-3-yl]acetamide (CID 53185796) is 2-ethoxy-N-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-3-yl]acetamide.
What is the SMILES notation for 2-ethoxy-N-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-3-yl]acetamide?
The canonical SMILES for 2-ethoxy-N-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-3-yl]acetamide is CCOCC(=O)NC1CCCN(c2cc(N3CCCC3)ncn2)C1.
What is the InChIKey of 2-ethoxy-N-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-3-yl]acetamide?
The InChIKey is JEEBLANVVIUJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O2/c1-2-24-12-17(23)20-14-6-5-9-22(11-14)16-10-15(18-13-19-16)21-7-3-4-8-21/h10,13-14H,2-9,11-12H2,1H3,(H,20,23).
What are the key properties of 2-ethoxy-N-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-3-yl]acetamide?
2-ethoxy-N-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-3-yl]acetamide has a molecular weight of 333.44 g/mol, XLogP of 1.20, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[1-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperidin-3-yl]acetamide is sourced from PubChem (CID 53185796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).