1-piperidin-1-yl-2-(1-pyridin-2-ylethylamino)ethanone

C14H21N3O — CID 43396900

IUPAC1-piperidin-1-yl-2-(1-pyridin-2-ylethylamino)ethanone
SMILESCC(NCC(=O)N1CCCCC1)c1ccccn1
InChIInChI=1S/C14H21N3O/c1-12(13-7-3-4-8-15-13)16-11-14(18)17-9-5-2-6-10-17/h3-4,7-8,12,16H,2,5-6,9-11H2,1H3
InChIKeyAYCBXTNDCMTJJY-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.74
Rot. Bonds4

About 1-piperidin-1-yl-2-(1-pyridin-2-ylethylamino)ethanone

1-piperidin-1-yl-2-(1-pyridin-2-ylethylamino)ethanone (PubChem CID 43396900) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-piperidin-1-yl-2-(1-pyridin-2-ylethylamino)ethanone.

Molecular Properties

Compound Name1-piperidin-1-yl-2-(1-pyridin-2-ylethylamino)ethanone
PubChem CID43396900
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name1-piperidin-1-yl-2-(1-pyridin-2-ylethylamino)ethanone
SMILESCC(NCC(=O)N1CCCCC1)c1ccccn1
InChIInChI=1S/C14H21N3O/c1-12(13-7-3-4-8-15-13)16-11-14(18)17-9-5-2-6-10-17/h3-4,7-8,12,16H,2,5-6,9-11H2,1H3
InChIKeyAYCBXTNDCMTJJY-UHFFFAOYSA-N
XLogP1.74
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(azepan-1-yl)-2-(1-pyridin-2-ylethylamino)ethanone
CID 43396870
N-(1-pyridin-2-ylethyl)piperidine-1-carboxamide
CID 113221669
2-[[(1R)-1-phenylethyl]amino]-1-piperidin-1-ylethanone
CID 28564943
1-[4-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperazin-1-yl]-2-(1-pyridin-2-ylethylamino)ethanone
CID 112801242
N-(2-ethylphenyl)-2-[4-[2-(1-pyridin-2-ylethylamino)acetyl]piperazin-1-yl]acetamide
CID 112801160
1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-(1-pyridin-2-ylethylamino)ethanone
CID 112801113
1-(azepan-1-yl)-2-[1-(2-chlorophenyl)ethylamino]ethanone
CID 60674362
ethyl 2-[[(1S)-1-pyridin-2-ylethyl]amino]acetate
CID 81401759
3-piperidin-1-yl-N-(1-pyridin-2-ylethyl)propan-1-amine
CID 43203794
1-(azepan-1-yl)-2-[[(1R)-1-(2-fluorophenyl)ethyl]amino]ethanone
CID 81380441
2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-1-pyrrolidin-1-ylethanone
CID 81378766
2-[[(1S)-1-(2-methylphenyl)ethyl]amino]-1-pyrrolidin-1-ylethanone
CID 81375206

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-yl-2-(1-pyridin-2-ylethylamino)ethanone?
The IUPAC name of 1-piperidin-1-yl-2-(1-pyridin-2-ylethylamino)ethanone (CID 43396900) is 1-piperidin-1-yl-2-(1-pyridin-2-ylethylamino)ethanone.
What is the SMILES notation for 1-piperidin-1-yl-2-(1-pyridin-2-ylethylamino)ethanone?
The canonical SMILES for 1-piperidin-1-yl-2-(1-pyridin-2-ylethylamino)ethanone is CC(NCC(=O)N1CCCCC1)c1ccccn1.
What is the InChIKey of 1-piperidin-1-yl-2-(1-pyridin-2-ylethylamino)ethanone?
The InChIKey is AYCBXTNDCMTJJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-12(13-7-3-4-8-15-13)16-11-14(18)17-9-5-2-6-10-17/h3-4,7-8,12,16H,2,5-6,9-11H2,1H3.
What are the key properties of 1-piperidin-1-yl-2-(1-pyridin-2-ylethylamino)ethanone?
1-piperidin-1-yl-2-(1-pyridin-2-ylethylamino)ethanone has a molecular weight of 247.34 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-yl-2-(1-pyridin-2-ylethylamino)ethanone is sourced from PubChem (CID 43396900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).