1-[2-[2-methyl-4-[(1-methylpiperidin-2-yl)methyl]piperidin-1-yl]-2-oxoethyl]-3-(2-methylpropyl)piperazin-2-one;2-methylpropane

C27H52N4O2 — CID 172611723

IUPAC1-[2-[2-methyl-4-[(1-methylpiperidin-2-yl)methyl]piperidin-1-yl]-2-oxoethyl]-3-(2-methylpropyl)piperazin-2-one;2-methylpropane
SMILESCC(C)C.CC(C)CC1NCCN(CC(=O)N2CCC(CC3CCCCN3C)CC2C)C1=O
InChIInChI=1S/C23H42N4O2.C4H10/c1-17(2)13-21-23(29)26(12-9-24-21)16-22(28)27-11-8-19(14-18(27)3)15-20-7-5-6-10-25(20)4;1-4(2)3/h17-21,24H,5-16H2,1-4H3;4H,1-3H3
InChIKeyLFABBYFTSVOOSL-UHFFFAOYSA-N
MW464.74 g/mol
LogP4.00
Rot. Bonds6

About 1-[2-[2-methyl-4-[(1-methylpiperidin-2-yl)methyl]piperidin-1-yl]-2-oxoethyl]-3-(2-methylpropyl)piperazin-2-one;2-methylpropane

1-[2-[2-methyl-4-[(1-methylpiperidin-2-yl)methyl]piperidin-1-yl]-2-oxoethyl]-3-(2-methylpropyl)piperazin-2-one;2-methylpropane (PubChem CID 172611723) has the molecular formula C27H52N4O2 and a molecular weight of 464.74 g/mol. Its IUPAC name is 1-[2-[2-methyl-4-[(1-methylpiperidin-2-yl)methyl]piperidin-1-yl]-2-oxoethyl]-3-(2-methylpropyl)piperazin-2-one;2-methylpropane.

Molecular Properties

Compound Name1-[2-[2-methyl-4-[(1-methylpiperidin-2-yl)methyl]piperidin-1-yl]-2-oxoethyl]-3-(2-methylpropyl)piperazin-2-one;2-methylpropane
PubChem CID172611723
Molecular FormulaC27H52N4O2
Molecular Weight464.74 g/mol
Exact Mass464.41
IUPAC Name1-[2-[2-methyl-4-[(1-methylpiperidin-2-yl)methyl]piperidin-1-yl]-2-oxoethyl]-3-(2-methylpropyl)piperazin-2-one;2-methylpropane
SMILESCC(C)C.CC(C)CC1NCCN(CC(=O)N2CCC(CC3CCCCN3C)CC2C)C1=O
InChIInChI=1S/C23H42N4O2.C4H10/c1-17(2)13-21-23(29)26(12-9-24-21)16-22(28)27-11-8-19(14-18(27)3)15-20-7-5-6-10-25(20)4;1-4(2)3/h17-21,24H,5-16H2,1-4H3;4H,1-3H3
InChIKeyLFABBYFTSVOOSL-UHFFFAOYSA-N
XLogP4.00
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.74
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-[2-methyl-4-[(1-methylpiperidin-2-yl)methyl]piperidin-1-yl]-2-oxoethyl]-3-(2-methylpropyl)piperazin-2-one;2-methylpropane with MolForge

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Related Compounds

1-[2-[10-methyl-3-[(2,2,3,3,4,4,5,5-octahydroxypyrrolidin-1-yl)methyl]-1,5-dioxa-9-azaspiro[5.5]undecan-9-yl]-2-oxoethyl]-3-(2-methylpropyl)piperazin-2-one;2-methylpropane
CID 172611592
5-methyl-5-[1-[2-[3-(2-methylpropyl)-2-oxopiperazin-1-yl]acetyl]piperidin-4-yl]imidazolidine-2,4-dione;2-methylpropane
CID 172611710
1-[2-(1,2-dioxa-7-azaspiro[3.5]nonan-7-yl)-2-oxoethyl]-3-(2-methylpropyl)piperazin-2-one
CID 172611720
2-methylpropane;9-[2-[(3S)-3-(2-methylpropyl)-2-oxopiperazin-1-yl]acetyl]-2,9-diazaspiro[5.5]undecan-1-one
CID 172611589
3-(2-methylpropyl)-1-[2-oxo-2-(4-phenoxypiperidin-1-yl)ethyl]piperazin-2-one
CID 172611708
3-methyl-1-[(1-methylpiperidin-2-yl)methyl]piperazin-2-one
CID 115101940
2-[4-[4-[(2R)-butan-2-yl]phenyl]sulfonylpiperazin-1-yl]-1-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 8003679
(3S)-1-[4-methyl-1-oxo-1-[4-(2-oxo-2-piperidin-1-ylethyl)piperidin-1-yl]pentan-2-yl]-3-(2-methylpropyl)piperazin-2-one
CID 138685320
5-(2-methylpropyl)-3-(2-pyrrolidin-1-ylethyl)imidazolidin-4-one
CID 83253267
1-methyl-2-(2-methylpropyl)azepane
CID 130636029
2-[4-(cyclopropylmethyl)-3-oxopiperazin-2-yl]-N-propan-2-ylacetamide
CID 110282708
1-(cyclopropylmethyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-2-one;hydrochloride
CID 110282635

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-methyl-4-[(1-methylpiperidin-2-yl)methyl]piperidin-1-yl]-2-oxoethyl]-3-(2-methylpropyl)piperazin-2-one;2-methylpropane?
The IUPAC name of 1-[2-[2-methyl-4-[(1-methylpiperidin-2-yl)methyl]piperidin-1-yl]-2-oxoethyl]-3-(2-methylpropyl)piperazin-2-one;2-methylpropane (CID 172611723) is 1-[2-[2-methyl-4-[(1-methylpiperidin-2-yl)methyl]piperidin-1-yl]-2-oxoethyl]-3-(2-methylpropyl)piperazin-2-one;2-methylpropane.
What is the SMILES notation for 1-[2-[2-methyl-4-[(1-methylpiperidin-2-yl)methyl]piperidin-1-yl]-2-oxoethyl]-3-(2-methylpropyl)piperazin-2-one;2-methylpropane?
The canonical SMILES for 1-[2-[2-methyl-4-[(1-methylpiperidin-2-yl)methyl]piperidin-1-yl]-2-oxoethyl]-3-(2-methylpropyl)piperazin-2-one;2-methylpropane is CC(C)C.CC(C)CC1NCCN(CC(=O)N2CCC(CC3CCCCN3C)CC2C)C1=O.
What is the InChIKey of 1-[2-[2-methyl-4-[(1-methylpiperidin-2-yl)methyl]piperidin-1-yl]-2-oxoethyl]-3-(2-methylpropyl)piperazin-2-one;2-methylpropane?
The InChIKey is LFABBYFTSVOOSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H42N4O2.C4H10/c1-17(2)13-21-23(29)26(12-9-24-21)16-22(28)27-11-8-19(14-18(27)3)15-20-7-5-6-10-25(20)4;1-4(2)3/h17-21,24H,5-16H2,1-4H3;4H,1-3H3.
What are the key properties of 1-[2-[2-methyl-4-[(1-methylpiperidin-2-yl)methyl]piperidin-1-yl]-2-oxoethyl]-3-(2-methylpropyl)piperazin-2-one;2-methylpropane?
1-[2-[2-methyl-4-[(1-methylpiperidin-2-yl)methyl]piperidin-1-yl]-2-oxoethyl]-3-(2-methylpropyl)piperazin-2-one;2-methylpropane has a molecular weight of 464.74 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-methyl-4-[(1-methylpiperidin-2-yl)methyl]piperidin-1-yl]-2-oxoethyl]-3-(2-methylpropyl)piperazin-2-one;2-methylpropane is sourced from PubChem (CID 172611723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).