2-methyl-1-[6-[4-[[1-(2-oxopropyl)piperidin-4-yl]methyl]piperazin-1-yl]-3-pyridinyl]butan-1-one

C23H36N4O2 — CID 142385744

IUPAC2-methyl-1-[6-[4-[[1-(2-oxopropyl)piperidin-4-yl]methyl]piperazin-1-yl]-3-pyridinyl]butan-1-one
SMILESCCC(C)C(=O)c1ccc(N2CCN(CC3CCN(CC(C)=O)CC3)CC2)nc1
InChIInChI=1S/C23H36N4O2/c1-4-18(2)23(29)21-5-6-22(24-15-21)27-13-11-26(12-14-27)17-20-7-9-25(10-8-20)16-19(3)28/h5-6,15,18,20H,4,7-14,16-17H2,1-3H3
InChIKeyYQVNLNAXYFINMW-UHFFFAOYSA-N
MW400.57 g/mol
LogP2.73
Rot. Bonds8

About 2-methyl-1-[6-[4-[[1-(2-oxopropyl)piperidin-4-yl]methyl]piperazin-1-yl]-3-pyridinyl]butan-1-one

2-methyl-1-[6-[4-[[1-(2-oxopropyl)piperidin-4-yl]methyl]piperazin-1-yl]-3-pyridinyl]butan-1-one (PubChem CID 142385744) has the molecular formula C23H36N4O2 and a molecular weight of 400.57 g/mol. Its IUPAC name is 2-methyl-1-[6-[4-[[1-(2-oxopropyl)piperidin-4-yl]methyl]piperazin-1-yl]-3-pyridinyl]butan-1-one.

Molecular Properties

Compound Name2-methyl-1-[6-[4-[[1-(2-oxopropyl)piperidin-4-yl]methyl]piperazin-1-yl]-3-pyridinyl]butan-1-one
PubChem CID142385744
Molecular FormulaC23H36N4O2
Molecular Weight400.57 g/mol
Exact Mass400.28
IUPAC Name2-methyl-1-[6-[4-[[1-(2-oxopropyl)piperidin-4-yl]methyl]piperazin-1-yl]-3-pyridinyl]butan-1-one
SMILESCCC(C)C(=O)c1ccc(N2CCN(CC3CCN(CC(C)=O)CC3)CC2)nc1
InChIInChI=1S/C23H36N4O2/c1-4-18(2)23(29)21-5-6-22(24-15-21)27-13-11-26(12-14-27)17-20-7-9-25(10-8-20)16-19(3)28/h5-6,15,18,20H,4,7-14,16-17H2,1-3H3
InChIKeyYQVNLNAXYFINMW-UHFFFAOYSA-N
XLogP2.73
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.57
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-methyl-1-[6-[4-[[1-(2-oxopropyl)piperidin-4-yl]methyl]piperazin-1-yl]-3-pyridinyl]butan-1-one with MolForge

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Related Compounds

6-[4-[(1-ethylpiperidin-4-yl)methyl]piperazin-1-yl]pyridine-3-carbonyl iodide
CID 166765068
1-[4-[[4-[5-(2,2-dimethylpropanoyl)-2-pyridinyl]piperazin-1-yl]methyl]piperidin-1-yl]-3-methyl-3-methylsulfanylbutan-2-one
CID 135180423
6-[4-[(4-hydroxypiperidin-1-yl)methyl]piperidin-1-yl]pyridine-3-carboxamide
CID 176985331
6-[4-(cyclopropylmethyl)piperazin-1-yl]pyridine-3-carbothioamide
CID 61443099
6-[4-(cyclopropylmethyl)piperazin-1-yl]pyridin-3-ol
CID 171356053
6-(4-ethylpiperazin-1-yl)-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide
CID 45240519
6-(4-ethylpiperazin-1-yl)pyridine-3-carboxylic acid;hydrochloride
CID 154881659
2-methyl-1-(6-pyrrolidin-1-yl-3-pyridinyl)propan-1-one
CID 83888261
5-propan-2-yl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyridine
CID 143718986
(2R)-2-methyl-1-[(3S)-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]butan-1-one
CID 94799591
1-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]propan-1-one
CID 102546833
1-[5-[4-(cyclopropylmethyl)piperazin-1-yl]-2-pyridinyl]propan-1-one
CID 115938950

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[6-[4-[[1-(2-oxopropyl)piperidin-4-yl]methyl]piperazin-1-yl]-3-pyridinyl]butan-1-one?
The IUPAC name of 2-methyl-1-[6-[4-[[1-(2-oxopropyl)piperidin-4-yl]methyl]piperazin-1-yl]-3-pyridinyl]butan-1-one (CID 142385744) is 2-methyl-1-[6-[4-[[1-(2-oxopropyl)piperidin-4-yl]methyl]piperazin-1-yl]-3-pyridinyl]butan-1-one.
What is the SMILES notation for 2-methyl-1-[6-[4-[[1-(2-oxopropyl)piperidin-4-yl]methyl]piperazin-1-yl]-3-pyridinyl]butan-1-one?
The canonical SMILES for 2-methyl-1-[6-[4-[[1-(2-oxopropyl)piperidin-4-yl]methyl]piperazin-1-yl]-3-pyridinyl]butan-1-one is CCC(C)C(=O)c1ccc(N2CCN(CC3CCN(CC(C)=O)CC3)CC2)nc1.
What is the InChIKey of 2-methyl-1-[6-[4-[[1-(2-oxopropyl)piperidin-4-yl]methyl]piperazin-1-yl]-3-pyridinyl]butan-1-one?
The InChIKey is YQVNLNAXYFINMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N4O2/c1-4-18(2)23(29)21-5-6-22(24-15-21)27-13-11-26(12-14-27)17-20-7-9-25(10-8-20)16-19(3)28/h5-6,15,18,20H,4,7-14,16-17H2,1-3H3.
What are the key properties of 2-methyl-1-[6-[4-[[1-(2-oxopropyl)piperidin-4-yl]methyl]piperazin-1-yl]-3-pyridinyl]butan-1-one?
2-methyl-1-[6-[4-[[1-(2-oxopropyl)piperidin-4-yl]methyl]piperazin-1-yl]-3-pyridinyl]butan-1-one has a molecular weight of 400.57 g/mol, XLogP of 2.73, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[6-[4-[[1-(2-oxopropyl)piperidin-4-yl]methyl]piperazin-1-yl]-3-pyridinyl]butan-1-one is sourced from PubChem (CID 142385744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).