2-methyl-1-[3-[4-(methylamino)piperidine-1-carbonyl]piperidin-1-yl]butan-1-one

C17H31N3O2 — CID 119560583

IUPAC2-methyl-1-[3-[4-(methylamino)piperidine-1-carbonyl]piperidin-1-yl]butan-1-one
SMILESCCC(C)C(=O)N1CCCC(C(=O)N2CCC(NC)CC2)C1
InChIInChI=1S/C17H31N3O2/c1-4-13(2)16(21)20-9-5-6-14(12-20)17(22)19-10-7-15(18-3)8-11-19/h13-15,18H,4-12H2,1-3H3
InChIKeyMCMAOJSHYWQUIU-UHFFFAOYSA-N
MW309.45 g/mol
LogP1.48
Rot. Bonds4

About 2-methyl-1-[3-[4-(methylamino)piperidine-1-carbonyl]piperidin-1-yl]butan-1-one

2-methyl-1-[3-[4-(methylamino)piperidine-1-carbonyl]piperidin-1-yl]butan-1-one (PubChem CID 119560583) has the molecular formula C17H31N3O2 and a molecular weight of 309.45 g/mol. Its IUPAC name is 2-methyl-1-[3-[4-(methylamino)piperidine-1-carbonyl]piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name2-methyl-1-[3-[4-(methylamino)piperidine-1-carbonyl]piperidin-1-yl]butan-1-one
PubChem CID119560583
Molecular FormulaC17H31N3O2
Molecular Weight309.45 g/mol
Exact Mass309.24
IUPAC Name2-methyl-1-[3-[4-(methylamino)piperidine-1-carbonyl]piperidin-1-yl]butan-1-one
SMILESCCC(C)C(=O)N1CCCC(C(=O)N2CCC(NC)CC2)C1
InChIInChI=1S/C17H31N3O2/c1-4-13(2)16(21)20-9-5-6-14(12-20)17(22)19-10-7-15(18-3)8-11-19/h13-15,18H,4-12H2,1-3H3
InChIKeyMCMAOJSHYWQUIU-UHFFFAOYSA-N
XLogP1.48
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.45
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]piperidin-1-yl]-2-methylbutan-1-one
CID 119622385
1-[3-[4-(1-aminoethyl)piperidine-1-carbonyl]piperidin-1-yl]-2-methylbutan-1-one
CID 119517575
(3S)-1-(2-methylbutanoyl)piperidine-3-carboxylic acid
CID 81120837
3-[4-(methylamino)piperidine-1-carbonyl]-N-(2-methylpropyl)piperidine-1-carboxamide
CID 119561872
[4-(methylamino)piperidin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-3-yl]methanone;hydrochloride
CID 119563390
2-methyl-1-[3-(3-piperazin-1-ylpyrrolidine-1-carbonyl)piperidin-1-yl]butan-1-one
CID 120997739
1-[3-[2-(aminomethyl)piperidine-1-carbonyl]piperidin-1-yl]-2-methylbutan-1-one
CID 119466888
2-methyl-3-(methylamino)-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one
CID 119700521
1-[3-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]piperidin-1-yl]-2-methylbutan-1-one
CID 120809891
1-[3-[2-(1-aminoethyl)piperidine-1-carbonyl]piperidin-1-yl]-2-methylbutan-1-one;hydrochloride
CID 119435128
cyclopentyl-[4-(methylamino)piperidin-1-yl]methanone
CID 60820118
cis-(1R,3S)-3-[[1-(2-methylbutanoyl)piperidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120678615

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[3-[4-(methylamino)piperidine-1-carbonyl]piperidin-1-yl]butan-1-one?
The IUPAC name of 2-methyl-1-[3-[4-(methylamino)piperidine-1-carbonyl]piperidin-1-yl]butan-1-one (CID 119560583) is 2-methyl-1-[3-[4-(methylamino)piperidine-1-carbonyl]piperidin-1-yl]butan-1-one.
What is the SMILES notation for 2-methyl-1-[3-[4-(methylamino)piperidine-1-carbonyl]piperidin-1-yl]butan-1-one?
The canonical SMILES for 2-methyl-1-[3-[4-(methylamino)piperidine-1-carbonyl]piperidin-1-yl]butan-1-one is CCC(C)C(=O)N1CCCC(C(=O)N2CCC(NC)CC2)C1.
What is the InChIKey of 2-methyl-1-[3-[4-(methylamino)piperidine-1-carbonyl]piperidin-1-yl]butan-1-one?
The InChIKey is MCMAOJSHYWQUIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O2/c1-4-13(2)16(21)20-9-5-6-14(12-20)17(22)19-10-7-15(18-3)8-11-19/h13-15,18H,4-12H2,1-3H3.
What are the key properties of 2-methyl-1-[3-[4-(methylamino)piperidine-1-carbonyl]piperidin-1-yl]butan-1-one?
2-methyl-1-[3-[4-(methylamino)piperidine-1-carbonyl]piperidin-1-yl]butan-1-one has a molecular weight of 309.45 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[3-[4-(methylamino)piperidine-1-carbonyl]piperidin-1-yl]butan-1-one is sourced from PubChem (CID 119560583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).