1-(4-methylpiperidin-1-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one

C18H28N4O — CID 109014349

IUPAC1-(4-methylpiperidin-1-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
SMILESCC1CCN(C(=O)CCN2CCN(c3ccccn3)CC2)CC1
InChIInChI=1S/C18H28N4O/c1-16-5-10-22(11-6-16)18(23)7-9-20-12-14-21(15-13-20)17-4-2-3-8-19-17/h2-4,8,16H,5-7,9-15H2,1H3
InChIKeyWXJUMCDIFFFFNQ-UHFFFAOYSA-N
MW316.45 g/mol
LogP1.85
Rot. Bonds4

About 1-(4-methylpiperidin-1-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one

1-(4-methylpiperidin-1-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one (PubChem CID 109014349) has the molecular formula C18H28N4O and a molecular weight of 316.45 g/mol. Its IUPAC name is 1-(4-methylpiperidin-1-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(4-methylpiperidin-1-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
PubChem CID109014349
Molecular FormulaC18H28N4O
Molecular Weight316.45 g/mol
Exact Mass316.23
IUPAC Name1-(4-methylpiperidin-1-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
SMILESCC1CCN(C(=O)CCN2CCN(c3ccccn3)CC2)CC1
InChIInChI=1S/C18H28N4O/c1-16-5-10-22(11-6-16)18(23)7-9-20-12-14-21(15-13-20)17-4-2-3-8-19-17/h2-4,8,16H,5-7,9-15H2,1H3
InChIKeyWXJUMCDIFFFFNQ-UHFFFAOYSA-N
XLogP1.85
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-benzylpiperidin-1-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 109030337
3-[4-(2-methoxyethyl)piperazin-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 86924247
1-[(3R)-3-(methylsulfanylmethyl)pyrrolidin-1-yl]-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 95932558
3-[(3S)-3-hydroxypyrrolidin-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 111123056
1-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 120659139
N-[1-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]piperidin-4-yl]cyclopropanecarboxamide
CID 37476198
1-(2-ethylthiomorpholin-4-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 71866646
1-(4-hydroxypiperidin-1-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 111446252
3-(4-pyridin-2-ylpiperazin-1-yl)propanamide;dihydrochloride
CID 11971564
(3aS,7aS)-2-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 7974830
1,2-bis(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 2813993
3-[4-(3-chlorobenzoyl)piperazin-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 55572311

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperidin-1-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one?
The IUPAC name of 1-(4-methylpiperidin-1-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one (CID 109014349) is 1-(4-methylpiperidin-1-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 1-(4-methylpiperidin-1-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 1-(4-methylpiperidin-1-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one is CC1CCN(C(=O)CCN2CCN(c3ccccn3)CC2)CC1.
What is the InChIKey of 1-(4-methylpiperidin-1-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one?
The InChIKey is WXJUMCDIFFFFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O/c1-16-5-10-22(11-6-16)18(23)7-9-20-12-14-21(15-13-20)17-4-2-3-8-19-17/h2-4,8,16H,5-7,9-15H2,1H3.
What are the key properties of 1-(4-methylpiperidin-1-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one?
1-(4-methylpiperidin-1-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one has a molecular weight of 316.45 g/mol, XLogP of 1.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperidin-1-yl)-3-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 109014349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).