1-[2-[ethyl(pyridin-4-ylmethyl)amino]acetyl]piperidin-4-one

C15H21N3O2 — CID 60684459

IUPAC1-[2-[ethyl(pyridin-4-ylmethyl)amino]acetyl]piperidin-4-one
SMILESCCN(CC(=O)N1CCC(=O)CC1)Cc1ccncc1
InChIInChI=1S/C15H21N3O2/c1-2-17(11-13-3-7-16-8-4-13)12-15(20)18-9-5-14(19)6-10-18/h3-4,7-8H,2,5-6,9-12H2,1H3
InChIKeyIWWNOCKHRYPTRY-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.10
Rot. Bonds5

About 1-[2-[ethyl(pyridin-4-ylmethyl)amino]acetyl]piperidin-4-one

1-[2-[ethyl(pyridin-4-ylmethyl)amino]acetyl]piperidin-4-one (PubChem CID 60684459) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-[2-[ethyl(pyridin-4-ylmethyl)amino]acetyl]piperidin-4-one.

Molecular Properties

Compound Name1-[2-[ethyl(pyridin-4-ylmethyl)amino]acetyl]piperidin-4-one
PubChem CID60684459
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name1-[2-[ethyl(pyridin-4-ylmethyl)amino]acetyl]piperidin-4-one
SMILESCCN(CC(=O)N1CCC(=O)CC1)Cc1ccncc1
InChIInChI=1S/C15H21N3O2/c1-2-17(11-13-3-7-16-8-4-13)12-15(20)18-9-5-14(19)6-10-18/h3-4,7-8H,2,5-6,9-12H2,1H3
InChIKeyIWWNOCKHRYPTRY-UHFFFAOYSA-N
XLogP1.10
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[methyl(2-pyridin-4-ylethyl)amino]acetyl]piperidin-4-one
CID 60912714
1-[2-[ethyl(2-ethylbutyl)amino]acetyl]piperidin-4-one
CID 61437890
1-(3-pyridin-4-ylpropanoyl)piperidin-4-one
CID 82475134
2-[benzyl(ethyl)amino]-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 108998886
2-[ethyl(pyridin-4-ylmethyl)amino]-1-(4-hydroxyphenyl)ethanone
CID 62052112
1-[2-[benzyl(methyl)amino]acetyl]piperidin-4-one
CID 60683935
1-[2-(3-pyridin-4-ylpropoxy)acetyl]piperidin-4-one
CID 62031591
2-[ethyl(pyridin-4-ylmethyl)amino]-1-(1-methylpyrrol-3-yl)ethanone
CID 62052291
1-[ethyl(pyridin-4-ylmethyl)amino]-3-methoxypropan-2-one
CID 107507295
2-[ethyl(pyridin-4-ylmethyl)amino]acetohydrazide
CID 63584522
2-[methyl(pyridin-4-ylmethyl)amino]-1-piperazin-1-ylethanone
CID 61018269
propan-2-yl 2-[ethyl(pyridin-4-ylmethyl)amino]acetate
CID 54940295

Frequently Asked Questions

What is the IUPAC name of 1-[2-[ethyl(pyridin-4-ylmethyl)amino]acetyl]piperidin-4-one?
The IUPAC name of 1-[2-[ethyl(pyridin-4-ylmethyl)amino]acetyl]piperidin-4-one (CID 60684459) is 1-[2-[ethyl(pyridin-4-ylmethyl)amino]acetyl]piperidin-4-one.
What is the SMILES notation for 1-[2-[ethyl(pyridin-4-ylmethyl)amino]acetyl]piperidin-4-one?
The canonical SMILES for 1-[2-[ethyl(pyridin-4-ylmethyl)amino]acetyl]piperidin-4-one is CCN(CC(=O)N1CCC(=O)CC1)Cc1ccncc1.
What is the InChIKey of 1-[2-[ethyl(pyridin-4-ylmethyl)amino]acetyl]piperidin-4-one?
The InChIKey is IWWNOCKHRYPTRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-2-17(11-13-3-7-16-8-4-13)12-15(20)18-9-5-14(19)6-10-18/h3-4,7-8H,2,5-6,9-12H2,1H3.
What are the key properties of 1-[2-[ethyl(pyridin-4-ylmethyl)amino]acetyl]piperidin-4-one?
1-[2-[ethyl(pyridin-4-ylmethyl)amino]acetyl]piperidin-4-one has a molecular weight of 275.35 g/mol, XLogP of 1.10, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[ethyl(pyridin-4-ylmethyl)amino]acetyl]piperidin-4-one is sourced from PubChem (CID 60684459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).