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

C15H29N3O — CID 116655615

IUPAC(4-methylpiperidin-1-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
SMILESCC(C)CN1CCN(C(=O)N2CCC(C)CC2)CC1
InChIInChI=1S/C15H29N3O/c1-13(2)12-16-8-10-18(11-9-16)15(19)17-6-4-14(3)5-7-17/h13-14H,4-12H2,1-3H3
InChIKeyMKLXNLIORHMEQF-UHFFFAOYSA-N
MW267.42 g/mol
LogP2.11
Rot. Bonds2

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

(4-methylpiperidin-1-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone (PubChem CID 116655615) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is (4-methylpiperidin-1-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-methylpiperidin-1-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
PubChem CID116655615
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name(4-methylpiperidin-1-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
SMILESCC(C)CN1CCN(C(=O)N2CCC(C)CC2)CC1
InChIInChI=1S/C15H29N3O/c1-13(2)12-16-8-10-18(11-9-16)15(19)17-6-4-14(3)5-7-17/h13-14H,4-12H2,1-3H3
InChIKeyMKLXNLIORHMEQF-UHFFFAOYSA-N
XLogP2.11
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(2-methylpropyl)piperazine-1-carbonyl]piperidine-4-carboxylic acid
CID 62776977
[4-(2-methylpropyl)piperazin-1-yl]-piperidin-1-ylmethanone
CID 70534208
(4-methylpiperidin-1-yl)-[4-(2-methylpropyl)piperidin-1-yl]methanone
CID 167480595
[4-(2-methylpropyl)piperazin-1-yl]-piperazin-1-ylmethanone
CID 62775488
(4-methylpiperidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 90447182
4-methyl-1-[4-(2-methylpropyl)piperazine-1-carbonyl]pyrrolidine-3-carboxylic acid
CID 63721838
4-(2-methylpropyl)piperazine-1-carbonyl chloride
CID 79887256
2-[4-(2-methylpropyl)piperazin-1-yl]-2-oxoacetic acid
CID 2051289
(4-hydroxypiperidin-1-yl)-(4-methylpiperidin-1-yl)methanone
CID 58959877
cyclohexyl-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 113072857
2-[1-[4-(2-methylpropyl)piperazine-1-carbonyl]pyrrolidin-2-yl]acetic acid
CID 62777322
(1-methylpiperidin-4-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 165146139

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperidin-1-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone?
The IUPAC name of (4-methylpiperidin-1-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone (CID 116655615) is (4-methylpiperidin-1-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-methylpiperidin-1-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-methylpiperidin-1-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone is CC(C)CN1CCN(C(=O)N2CCC(C)CC2)CC1.
What is the InChIKey of (4-methylpiperidin-1-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone?
The InChIKey is MKLXNLIORHMEQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-13(2)12-16-8-10-18(11-9-16)15(19)17-6-4-14(3)5-7-17/h13-14H,4-12H2,1-3H3.
What are the key properties of (4-methylpiperidin-1-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone?
(4-methylpiperidin-1-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone has a molecular weight of 267.42 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperidin-1-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone is sourced from PubChem (CID 116655615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).