[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-pyridin-4-ylmethanone

C18H28N4O — CID 70705426

IUPAC[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-pyridin-4-ylmethanone
SMILESCC(C1CCN(C(=O)c2ccncc2)CC1)N1CCN(C)CC1
InChIInChI=1S/C18H28N4O/c1-15(21-13-11-20(2)12-14-21)16-5-9-22(10-6-16)18(23)17-3-7-19-8-4-17/h3-4,7-8,15-16H,5-6,9-14H2,1-2H3
InChIKeyOIPFVXBMALCXCS-UHFFFAOYSA-N
MW316.45 g/mol
LogP1.57
Rot. Bonds3

About [4-[1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-pyridin-4-ylmethanone

[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-pyridin-4-ylmethanone (PubChem CID 70705426) has the molecular formula C18H28N4O and a molecular weight of 316.45 g/mol. Its IUPAC name is [4-[1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-pyridin-4-ylmethanone
PubChem CID70705426
Molecular FormulaC18H28N4O
Molecular Weight316.45 g/mol
Exact Mass316.23
IUPAC Name[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-pyridin-4-ylmethanone
SMILESCC(C1CCN(C(=O)c2ccncc2)CC1)N1CCN(C)CC1
InChIInChI=1S/C18H28N4O/c1-15(21-13-11-20(2)12-14-21)16-5-9-22(10-6-16)18(23)17-3-7-19-8-4-17/h3-4,7-8,15-16H,5-6,9-14H2,1-2H3
InChIKeyOIPFVXBMALCXCS-UHFFFAOYSA-N
XLogP1.57
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone
CID 70743628
[4-(furan-2-yl)phenyl]-[4-[(1R)-1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone
CID 97149202
(2-ethylpyrazol-3-yl)-[4-[(1S)-1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone
CID 97156808
(2-ethylpyrazol-3-yl)-[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone
CID 70788415
(4-methylpiperazin-1-yl)-pyridin-4-ylmethanone;hydrochloride
CID 110755354
1-benzofuran-5-yl-[4-[(1R)-1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone
CID 97134600
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 112627475
[2-(hydroxymethyl)-3H-benzimidazol-5-yl]-[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone
CID 70771527
[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-[3-(2-methylpropyl)imidazo[4,5-b]pyridin-6-yl]methanone
CID 176503662
3-[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carbonyl]-6-propan-2-yl-1H-pyridin-2-one
CID 70715383
(4-methylpiperazin-1-yl)-[4-(1-pyridin-4-ylpropan-2-yl)phenyl]methanone
CID 21336449
[2-(methylamino)-1,3-thiazol-4-yl]-[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]methanone
CID 70745608

Frequently Asked Questions

What is the IUPAC name of [4-[1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-pyridin-4-ylmethanone?
The IUPAC name of [4-[1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-pyridin-4-ylmethanone (CID 70705426) is [4-[1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [4-[1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [4-[1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-pyridin-4-ylmethanone is CC(C1CCN(C(=O)c2ccncc2)CC1)N1CCN(C)CC1.
What is the InChIKey of [4-[1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-pyridin-4-ylmethanone?
The InChIKey is OIPFVXBMALCXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O/c1-15(21-13-11-20(2)12-14-21)16-5-9-22(10-6-16)18(23)17-3-7-19-8-4-17/h3-4,7-8,15-16H,5-6,9-14H2,1-2H3.
What are the key properties of [4-[1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-pyridin-4-ylmethanone?
[4-[1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-pyridin-4-ylmethanone has a molecular weight of 316.45 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 [4-[1-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 70705426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).