1-(4-aminopiperidin-1-yl)-2-(4-methylpiperidin-1-yl)propan-1-one

C14H27N3O — CID 82042068

IUPAC1-(4-aminopiperidin-1-yl)-2-(4-methylpiperidin-1-yl)propan-1-one
SMILESCC1CCN(C(C)C(=O)N2CCC(N)CC2)CC1
InChIInChI=1S/C14H27N3O/c1-11-3-7-16(8-4-11)12(2)14(18)17-9-5-13(15)6-10-17/h11-13H,3-10,15H2,1-2H3
InChIKeyHFDZBCJDRJVKKK-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.06
Rot. Bonds2

About 1-(4-aminopiperidin-1-yl)-2-(4-methylpiperidin-1-yl)propan-1-one

1-(4-aminopiperidin-1-yl)-2-(4-methylpiperidin-1-yl)propan-1-one (PubChem CID 82042068) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 1-(4-aminopiperidin-1-yl)-2-(4-methylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(4-aminopiperidin-1-yl)-2-(4-methylpiperidin-1-yl)propan-1-one
PubChem CID82042068
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name1-(4-aminopiperidin-1-yl)-2-(4-methylpiperidin-1-yl)propan-1-one
SMILESCC1CCN(C(C)C(=O)N2CCC(N)CC2)CC1
InChIInChI=1S/C14H27N3O/c1-11-3-7-16(8-4-11)12(2)14(18)17-9-5-13(15)6-10-17/h11-13H,3-10,15H2,1-2H3
InChIKeyHFDZBCJDRJVKKK-UHFFFAOYSA-N
XLogP1.06
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(4-aminopiperidin-1-yl)-1-oxopropan-2-yl]piperidin-4-one
CID 82042055
2-(4-amino-3,3-dimethylpiperidin-1-yl)-1-(4-methylpiperidin-1-yl)propan-1-one;hydrochloride
CID 120776079
2-amino-1-(4-methylpiperidin-1-yl)propan-1-one
CID 18715079
(2R)-2-amino-1-(4-aminopiperidin-1-yl)propan-1-one;hydrochloride
CID 131089631
methane;2-methyl-1-(4-methylpiperidin-1-yl)propan-1-one
CID 143298111
3-(4-methylpiperidin-1-yl)butan-2-one
CID 43228138
tert-butyl N-[1-[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl]piperidin-4-yl]carbamate
CID 60513147
1-(4-aminopiperidin-1-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 119375838
1-(4-aminopiperidin-1-yl)-2,3,3-trimethylbutan-1-one
CID 119374050
2-(2-azaspiro[4.5]decan-2-yl)-1-(4-methylpiperidin-1-yl)propan-1-one
CID 102558215
1-[(2R)-1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 8530576
2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 134058373

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminopiperidin-1-yl)-2-(4-methylpiperidin-1-yl)propan-1-one?
The IUPAC name of 1-(4-aminopiperidin-1-yl)-2-(4-methylpiperidin-1-yl)propan-1-one (CID 82042068) is 1-(4-aminopiperidin-1-yl)-2-(4-methylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 1-(4-aminopiperidin-1-yl)-2-(4-methylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 1-(4-aminopiperidin-1-yl)-2-(4-methylpiperidin-1-yl)propan-1-one is CC1CCN(C(C)C(=O)N2CCC(N)CC2)CC1.
What is the InChIKey of 1-(4-aminopiperidin-1-yl)-2-(4-methylpiperidin-1-yl)propan-1-one?
The InChIKey is HFDZBCJDRJVKKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-11-3-7-16(8-4-11)12(2)14(18)17-9-5-13(15)6-10-17/h11-13H,3-10,15H2,1-2H3.
What are the key properties of 1-(4-aminopiperidin-1-yl)-2-(4-methylpiperidin-1-yl)propan-1-one?
1-(4-aminopiperidin-1-yl)-2-(4-methylpiperidin-1-yl)propan-1-one has a molecular weight of 253.39 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminopiperidin-1-yl)-2-(4-methylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 82042068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).