1-[2-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]ethanone

C14H19N3O — CID 103721831

IUPAC1-[2-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]ethanone
SMILESCC(=O)c1cccnc1N1CCN(C2CC2)CC1
InChIInChI=1S/C14H19N3O/c1-11(18)13-3-2-6-15-14(13)17-9-7-16(8-10-17)12-4-5-12/h2-3,6,12H,4-5,7-10H2,1H3
InChIKeyPFZSFODNPJVFND-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.57
Rot. Bonds3

About 1-[2-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]ethanone

1-[2-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]ethanone (PubChem CID 103721831) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 1-[2-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[2-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]ethanone
PubChem CID103721831
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name1-[2-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]ethanone
SMILESCC(=O)c1cccnc1N1CCN(C2CC2)CC1
InChIInChI=1S/C14H19N3O/c1-11(18)13-3-2-6-15-14(13)17-9-7-16(8-10-17)12-4-5-12/h2-3,6,12H,4-5,7-10H2,1H3
InChIKeyPFZSFODNPJVFND-UHFFFAOYSA-N
XLogP1.57
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanone
CID 56692641
1-[2-(4-hydroxy-3,3-dimethylpiperidin-1-yl)-3-pyridinyl]ethanone
CID 112747183
1-[2-(2-methylmorpholin-4-yl)-3-pyridinyl]ethanone
CID 103721776
2-[4-(3-acetyl-2-pyridinyl)piperazin-1-yl]-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]ethanone
CID 95971662
2-(4-propan-2-ylpiperazin-1-yl)pyridine-3-carboxylic acid
CID 43421741
1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl-(2-piperidin-1-yl-3-pyridinyl)methanone
CID 56821345
2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)pyridine-3-carboxylic acid
CID 55237033
2-(3,4-dimethylpyrrolidin-1-yl)pyridine-3-carboxylic acid
CID 79181220
1-[2-(2-ethylazepan-1-yl)-3-pyridinyl]ethanone
CID 114055606
2-(4-tert-butylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 62085076
2-[4-(cyclopropanecarbonyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 94283741
2-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-N-methylpyridine-3-carboxamide
CID 133320439

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]ethanone?
The IUPAC name of 1-[2-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]ethanone (CID 103721831) is 1-[2-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]ethanone.
What is the SMILES notation for 1-[2-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]ethanone?
The canonical SMILES for 1-[2-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]ethanone is CC(=O)c1cccnc1N1CCN(C2CC2)CC1.
What is the InChIKey of 1-[2-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]ethanone?
The InChIKey is PFZSFODNPJVFND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-11(18)13-3-2-6-15-14(13)17-9-7-16(8-10-17)12-4-5-12/h2-3,6,12H,4-5,7-10H2,1H3.
What are the key properties of 1-[2-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]ethanone?
1-[2-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]ethanone has a molecular weight of 245.33 g/mol, XLogP of 1.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-cyclopropylpiperazin-1-yl)-3-pyridinyl]ethanone is sourced from PubChem (CID 103721831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).