2-[methyl(piperidin-4-ylmethyl)amino]-1-pyrrolidin-1-ylpropan-1-one

C14H27N3O — CID 79716618

IUPAC2-[methyl(piperidin-4-ylmethyl)amino]-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(C(=O)N1CCCC1)N(C)CC1CCNCC1
InChIInChI=1S/C14H27N3O/c1-12(14(18)17-9-3-4-10-17)16(2)11-13-5-7-15-8-6-13/h12-13,15H,3-11H2,1-2H3
InChIKeyXZAGWEHTSXIZMY-UHFFFAOYSA-N
MW253.39 g/mol
LogP0.93
Rot. Bonds4

About 2-[methyl(piperidin-4-ylmethyl)amino]-1-pyrrolidin-1-ylpropan-1-one

2-[methyl(piperidin-4-ylmethyl)amino]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 79716618) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-[methyl(piperidin-4-ylmethyl)amino]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-[methyl(piperidin-4-ylmethyl)amino]-1-pyrrolidin-1-ylpropan-1-one
PubChem CID79716618
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name2-[methyl(piperidin-4-ylmethyl)amino]-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(C(=O)N1CCCC1)N(C)CC1CCNCC1
InChIInChI=1S/C14H27N3O/c1-12(14(18)17-9-3-4-10-17)16(2)11-13-5-7-15-8-6-13/h12-13,15H,3-11H2,1-2H3
InChIKeyXZAGWEHTSXIZMY-UHFFFAOYSA-N
XLogP0.93
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[piperidin-4-ylmethyl(propyl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 79714399
2-[methyl(piperidin-2-ylmethyl)amino]-1-piperidin-1-ylpropan-1-one
CID 106635350
2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1-piperazin-1-ylpropan-1-one
CID 61441971
2-[methyl(oxolan-2-ylmethyl)amino]-1-piperazin-1-ylpropan-1-one
CID 61432130
2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-1-piperidin-1-ylpropan-1-one
CID 61018825
1-morpholin-4-yl-2-[piperidin-4-ylmethyl(propan-2-yl)amino]propan-1-one
CID 79705244
2-[ethyl(methyl)amino]-1-piperazin-1-ylpropan-1-one
CID 43263438
2-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 64850823
2-[cyclopentylmethyl(methyl)amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 60603964
2-[methyl(propyl)amino]-1-piperazin-1-ylpropan-1-one
CID 43271283
2-[cyclopropylmethyl-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]acetic acid
CID 43656828
2-[cyclopropylmethyl(propyl)amino]-1-piperazin-1-ylpropan-1-one
CID 61441341

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(piperidin-4-ylmethyl)amino]-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 2-[methyl(piperidin-4-ylmethyl)amino]-1-pyrrolidin-1-ylpropan-1-one (CID 79716618) is 2-[methyl(piperidin-4-ylmethyl)amino]-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 2-[methyl(piperidin-4-ylmethyl)amino]-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 2-[methyl(piperidin-4-ylmethyl)amino]-1-pyrrolidin-1-ylpropan-1-one is CC(C(=O)N1CCCC1)N(C)CC1CCNCC1.
What is the InChIKey of 2-[methyl(piperidin-4-ylmethyl)amino]-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is XZAGWEHTSXIZMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-12(14(18)17-9-3-4-10-17)16(2)11-13-5-7-15-8-6-13/h12-13,15H,3-11H2,1-2H3.
What are the key properties of 2-[methyl(piperidin-4-ylmethyl)amino]-1-pyrrolidin-1-ylpropan-1-one?
2-[methyl(piperidin-4-ylmethyl)amino]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 253.39 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(piperidin-4-ylmethyl)amino]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 79716618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).