2-methyl-1-[4-[(1-methylpiperidin-4-yl)amino]piperidin-1-yl]propan-1-one

C15H29N3O — CID 43747773

IUPAC2-methyl-1-[4-[(1-methylpiperidin-4-yl)amino]piperidin-1-yl]propan-1-one
SMILESCC(C)C(=O)N1CCC(NC2CCN(C)CC2)CC1
InChIInChI=1S/C15H29N3O/c1-12(2)15(19)18-10-6-14(7-11-18)16-13-4-8-17(3)9-5-13/h12-14,16H,4-11H2,1-3H3
InChIKeyMJRKUPCNPJACAT-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.32
Rot. Bonds3

About 2-methyl-1-[4-[(1-methylpiperidin-4-yl)amino]piperidin-1-yl]propan-1-one

2-methyl-1-[4-[(1-methylpiperidin-4-yl)amino]piperidin-1-yl]propan-1-one (PubChem CID 43747773) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 2-methyl-1-[4-[(1-methylpiperidin-4-yl)amino]piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[4-[(1-methylpiperidin-4-yl)amino]piperidin-1-yl]propan-1-one
PubChem CID43747773
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name2-methyl-1-[4-[(1-methylpiperidin-4-yl)amino]piperidin-1-yl]propan-1-one
SMILESCC(C)C(=O)N1CCC(NC2CCN(C)CC2)CC1
InChIInChI=1S/C15H29N3O/c1-12(2)15(19)18-10-6-14(7-11-18)16-13-4-8-17(3)9-5-13/h12-14,16H,4-11H2,1-3H3
InChIKeyMJRKUPCNPJACAT-UHFFFAOYSA-N
XLogP1.32
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 ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-[4-[1-(1-methylpiperidin-4-yl)ethylamino]piperidin-1-yl]propan-1-one
CID 43747768
2-methyl-1-[4-(propan-2-ylamino)piperidin-1-yl]propan-1-one
CID 43747822
1-[4-[(2,6-dimethylcyclohexyl)amino]piperidin-1-yl]-2-methylpropan-1-one
CID 43747778
2-methyl-1-(4-methylpiperazin-1-yl)propan-1-one
CID 3485569
1-[4-(1-azabicyclo[2.2.2]octan-3-ylamino)piperidin-1-yl]-2-methylpropan-1-one
CID 43747838
1-[4-[(2,2-dimethylcyclopentyl)amino]piperidin-1-yl]-2-methylpropan-1-one
CID 79859942
2-methyl-3-[[1-(2-methylpropanoyl)piperidin-4-yl]amino]-3-oxopropanoic acid
CID 114898097
2-methyl-N-[1-(2-methylpropanoyl)pyrrolidin-3-yl]propanamide
CID 159759290
tert-butyl 4-[(1-methylpiperidin-4-yl)amino]piperidine-1-carboxylate
CID 43652189
4-methyl-N-[1-(2-methylpropanoyl)piperidin-4-yl]piperidine-1-carboxamide
CID 127236629
methane;2-methyl-1-(4-methylpiperidin-1-yl)propan-1-one
CID 143298111
4-[(1-methylpyrrolidin-3-yl)amino]piperidine-1-carboxamide
CID 61462070

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-[(1-methylpiperidin-4-yl)amino]piperidin-1-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[4-[(1-methylpiperidin-4-yl)amino]piperidin-1-yl]propan-1-one (CID 43747773) is 2-methyl-1-[4-[(1-methylpiperidin-4-yl)amino]piperidin-1-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[4-[(1-methylpiperidin-4-yl)amino]piperidin-1-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[4-[(1-methylpiperidin-4-yl)amino]piperidin-1-yl]propan-1-one is CC(C)C(=O)N1CCC(NC2CCN(C)CC2)CC1.
What is the InChIKey of 2-methyl-1-[4-[(1-methylpiperidin-4-yl)amino]piperidin-1-yl]propan-1-one?
The InChIKey is MJRKUPCNPJACAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-12(2)15(19)18-10-6-14(7-11-18)16-13-4-8-17(3)9-5-13/h12-14,16H,4-11H2,1-3H3.
What are the key properties of 2-methyl-1-[4-[(1-methylpiperidin-4-yl)amino]piperidin-1-yl]propan-1-one?
2-methyl-1-[4-[(1-methylpiperidin-4-yl)amino]piperidin-1-yl]propan-1-one has a molecular weight of 267.42 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-[(1-methylpiperidin-4-yl)amino]piperidin-1-yl]propan-1-one is sourced from PubChem (CID 43747773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).