1-[4-[(2-methyl-3-piperidin-1-ylpropyl)amino]piperidin-1-yl]ethanone

C16H31N3O — CID 60961230

IUPAC1-[4-[(2-methyl-3-piperidin-1-ylpropyl)amino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(NCC(C)CN2CCCCC2)CC1
InChIInChI=1S/C16H31N3O/c1-14(13-18-8-4-3-5-9-18)12-17-16-6-10-19(11-7-16)15(2)20/h14,16-17H,3-13H2,1-2H3
InChIKeyDLRLICIFVSFNHI-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.71
Rot. Bonds5

About 1-[4-[(2-methyl-3-piperidin-1-ylpropyl)amino]piperidin-1-yl]ethanone

1-[4-[(2-methyl-3-piperidin-1-ylpropyl)amino]piperidin-1-yl]ethanone (PubChem CID 60961230) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 1-[4-[(2-methyl-3-piperidin-1-ylpropyl)amino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(2-methyl-3-piperidin-1-ylpropyl)amino]piperidin-1-yl]ethanone
PubChem CID60961230
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name1-[4-[(2-methyl-3-piperidin-1-ylpropyl)amino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(NCC(C)CN2CCCCC2)CC1
InChIInChI=1S/C16H31N3O/c1-14(13-18-8-4-3-5-9-18)12-17-16-6-10-19(11-7-16)15(2)20/h14,16-17H,3-13H2,1-2H3
InChIKeyDLRLICIFVSFNHI-UHFFFAOYSA-N
XLogP1.71
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-N-(2-methyl-3-piperidin-1-ylpropyl)piperidin-4-amine
CID 54906375
4-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]cyclohexan-1-ol
CID 106594618
1-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)pyrrolidin-3-amine
CID 62975439
N-(2-methyl-3-pyrrolidin-1-ylpropyl)acetamide
CID 61062993
1-cyclopropyl-N-(2-methyl-3-piperidin-1-ylpropyl)pyrrolidin-3-amine
CID 62982179
3-methyl-N-(2-methyl-3-piperidin-1-ylpropyl)cyclopentan-1-amine
CID 64502363
N-(2-methyl-3-pyrrolidin-1-ylpropyl)-1,4-dioxaspiro[4.5]decan-8-amine
CID 62992339
N-(2-methyl-3-piperidin-1-ylpropyl)thiolan-3-amine
CID 61020549
2,2-dimethyl-N-(2-methyl-3-piperidin-1-ylpropyl)-1,3-dioxan-5-amine
CID 106658667
1-[(3S)-3-(2-methylpropylamino)pyrrolidin-1-yl]ethanone
CID 42553313
3-[(1-acetylpiperidin-4-yl)amino]-2-methylpropanenitrile
CID 60665962
1,2-dimethyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)piperidin-4-amine
CID 81296513

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-methyl-3-piperidin-1-ylpropyl)amino]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[(2-methyl-3-piperidin-1-ylpropyl)amino]piperidin-1-yl]ethanone (CID 60961230) is 1-[4-[(2-methyl-3-piperidin-1-ylpropyl)amino]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[(2-methyl-3-piperidin-1-ylpropyl)amino]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[(2-methyl-3-piperidin-1-ylpropyl)amino]piperidin-1-yl]ethanone is CC(=O)N1CCC(NCC(C)CN2CCCCC2)CC1.
What is the InChIKey of 1-[4-[(2-methyl-3-piperidin-1-ylpropyl)amino]piperidin-1-yl]ethanone?
The InChIKey is DLRLICIFVSFNHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-14(13-18-8-4-3-5-9-18)12-17-16-6-10-19(11-7-16)15(2)20/h14,16-17H,3-13H2,1-2H3.
What are the key properties of 1-[4-[(2-methyl-3-piperidin-1-ylpropyl)amino]piperidin-1-yl]ethanone?
1-[4-[(2-methyl-3-piperidin-1-ylpropyl)amino]piperidin-1-yl]ethanone has a molecular weight of 281.44 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-methyl-3-piperidin-1-ylpropyl)amino]piperidin-1-yl]ethanone is sourced from PubChem (CID 60961230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).