1-[4-(1-pyridin-2-ylethylamino)piperidin-1-yl]ethanone

C14H21N3O — CID 43223671

IUPAC1-[4-(1-pyridin-2-ylethylamino)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(NC(C)c2ccccn2)CC1
InChIInChI=1S/C14H21N3O/c1-11(14-5-3-4-8-15-14)16-13-6-9-17(10-7-13)12(2)18/h3-5,8,11,13,16H,6-7,9-10H2,1-2H3
InChIKeyROZGKWLJEWAKNE-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.74
Rot. Bonds3

About 1-[4-(1-pyridin-2-ylethylamino)piperidin-1-yl]ethanone

1-[4-(1-pyridin-2-ylethylamino)piperidin-1-yl]ethanone (PubChem CID 43223671) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-[4-(1-pyridin-2-ylethylamino)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(1-pyridin-2-ylethylamino)piperidin-1-yl]ethanone
PubChem CID43223671
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name1-[4-(1-pyridin-2-ylethylamino)piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(NC(C)c2ccccn2)CC1
InChIInChI=1S/C14H21N3O/c1-11(14-5-3-4-8-15-14)16-13-6-9-17(10-7-13)12(2)18/h3-5,8,11,13,16H,6-7,9-10H2,1-2H3
InChIKeyROZGKWLJEWAKNE-UHFFFAOYSA-N
XLogP1.74
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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

N,N-dimethyl-4-[[(1S)-1-pyridin-2-ylethyl]amino]piperidine-1-carboxamide
CID 83262155
1-phenyl-N-[(1R)-1-pyridin-2-ylethyl]piperidin-4-amine
CID 106820380
N-[(1S)-1-pyridin-2-ylethyl]cycloheptanamine
CID 28647798
N-[(1S)-1-pyridin-2-ylethyl]cyclododecanamine
CID 29052683
N-(1-pyridin-2-ylethyl)cyclooctanamine
CID 43178142
N,N-dimethyl-2-[4-[[(1R)-1-pyridin-2-ylethyl]amino]piperidin-1-yl]acetamide
CID 81393445
1-methyl-N-(1-pyridin-2-ylethyl)pyrrolidin-3-amine
CID 61461637
1-pyridin-4-yl-N-(1-pyridin-2-ylethyl)piperidin-4-amine
CID 43343781
1-[4-(1-phenylethylamino)piperidin-1-yl]ethanone
CID 43222563
1,1-dioxo-N-(1-pyridin-2-ylethyl)thian-4-amine
CID 43511597
1-[4-(1-pyridin-4-ylethylamino)piperidin-1-yl]ethanone
CID 43223802
N-[(1S)-1-pyridin-2-ylethyl]piperidin-4-amine
CID 81401330

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-pyridin-2-ylethylamino)piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-(1-pyridin-2-ylethylamino)piperidin-1-yl]ethanone (CID 43223671) is 1-[4-(1-pyridin-2-ylethylamino)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(1-pyridin-2-ylethylamino)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-(1-pyridin-2-ylethylamino)piperidin-1-yl]ethanone is CC(=O)N1CCC(NC(C)c2ccccn2)CC1.
What is the InChIKey of 1-[4-(1-pyridin-2-ylethylamino)piperidin-1-yl]ethanone?
The InChIKey is ROZGKWLJEWAKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-11(14-5-3-4-8-15-14)16-13-6-9-17(10-7-13)12(2)18/h3-5,8,11,13,16H,6-7,9-10H2,1-2H3.
What are the key properties of 1-[4-(1-pyridin-2-ylethylamino)piperidin-1-yl]ethanone?
1-[4-(1-pyridin-2-ylethylamino)piperidin-1-yl]ethanone has a molecular weight of 247.34 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-pyridin-2-ylethylamino)piperidin-1-yl]ethanone is sourced from PubChem (CID 43223671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).