(6-methylpiperidin-3-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone

C15H29N3O — CID 62778021

IUPAC(6-methylpiperidin-3-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
SMILESCC(C)CN1CCN(C(=O)C2CCC(C)NC2)CC1
InChIInChI=1S/C15H29N3O/c1-12(2)11-17-6-8-18(9-7-17)15(19)14-5-4-13(3)16-10-14/h12-14,16H,4-11H2,1-3H3
InChIKeyIDXLSHQVJOLBMX-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.17
Rot. Bonds3

About (6-methylpiperidin-3-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone

(6-methylpiperidin-3-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone (PubChem CID 62778021) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is (6-methylpiperidin-3-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(6-methylpiperidin-3-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
PubChem CID62778021
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name(6-methylpiperidin-3-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
SMILESCC(C)CN1CCN(C(=O)C2CCC(C)NC2)CC1
InChIInChI=1S/C15H29N3O/c1-12(2)11-17-6-8-18(9-7-17)15(19)14-5-4-13(3)16-10-14/h12-14,16H,4-11H2,1-3H3
InChIKeyIDXLSHQVJOLBMX-UHFFFAOYSA-N
XLogP1.17
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2-hydroxyethyl)piperazin-1-yl]-(6-methylpiperidin-3-yl)methanone
CID 43592211
cyclohexyl-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 113072857
(1-methylpiperidin-4-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 165146139
[4-(2-methylpropyl)piperazin-1-yl]-(oxan-4-yl)methanone
CID 113072893
[4-(methoxymethyl)piperidin-1-yl]-(6-methylpiperidin-3-yl)methanone
CID 63978051
[4-(aminomethyl)cyclohexyl]-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 62808544
(3-aminocyclopentyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone;dihydrochloride
CID 119831557
cyclopropyl-[4-(2-hydroxypropyl)piperazin-1-yl]methanone
CID 82113410
[4-(2-methylpropyl)piperazin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone;dihydrochloride
CID 119831585
[4-(2-methylpropyl)piperazin-1-yl]-[(2S)-piperidin-2-yl]methanone
CID 103813273
2-[4-(2-methylpropyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 60950003
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-(6-methylpiperidin-3-yl)methanone
CID 113335731

Frequently Asked Questions

What is the IUPAC name of (6-methylpiperidin-3-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone?
The IUPAC name of (6-methylpiperidin-3-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone (CID 62778021) is (6-methylpiperidin-3-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone.
What is the SMILES notation for (6-methylpiperidin-3-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone?
The canonical SMILES for (6-methylpiperidin-3-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone is CC(C)CN1CCN(C(=O)C2CCC(C)NC2)CC1.
What is the InChIKey of (6-methylpiperidin-3-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone?
The InChIKey is IDXLSHQVJOLBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-12(2)11-17-6-8-18(9-7-17)15(19)14-5-4-13(3)16-10-14/h12-14,16H,4-11H2,1-3H3.
What are the key properties of (6-methylpiperidin-3-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone?
(6-methylpiperidin-3-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone has a molecular weight of 267.42 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methylpiperidin-3-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone is sourced from PubChem (CID 62778021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).