1-(3,5-dimethylpiperidin-1-yl)-2-[ethyl(pyrrolidin-2-ylmethyl)amino]ethanone

C16H31N3O — CID 106615332

IUPAC1-(3,5-dimethylpiperidin-1-yl)-2-[ethyl(pyrrolidin-2-ylmethyl)amino]ethanone
SMILESCCN(CC(=O)N1CC(C)CC(C)C1)CC1CCCN1
InChIInChI=1S/C16H31N3O/c1-4-18(11-15-6-5-7-17-15)12-16(20)19-9-13(2)8-14(3)10-19/h13-15,17H,4-12H2,1-3H3
InChIKeyNNCGDIMWFJFWLW-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.56
Rot. Bonds5

About 1-(3,5-dimethylpiperidin-1-yl)-2-[ethyl(pyrrolidin-2-ylmethyl)amino]ethanone

1-(3,5-dimethylpiperidin-1-yl)-2-[ethyl(pyrrolidin-2-ylmethyl)amino]ethanone (PubChem CID 106615332) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 1-(3,5-dimethylpiperidin-1-yl)-2-[ethyl(pyrrolidin-2-ylmethyl)amino]ethanone.

Molecular Properties

Compound Name1-(3,5-dimethylpiperidin-1-yl)-2-[ethyl(pyrrolidin-2-ylmethyl)amino]ethanone
PubChem CID106615332
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name1-(3,5-dimethylpiperidin-1-yl)-2-[ethyl(pyrrolidin-2-ylmethyl)amino]ethanone
SMILESCCN(CC(=O)N1CC(C)CC(C)C1)CC1CCCN1
InChIInChI=1S/C16H31N3O/c1-4-18(11-15-6-5-7-17-15)12-16(20)19-9-13(2)8-14(3)10-19/h13-15,17H,4-12H2,1-3H3
InChIKeyNNCGDIMWFJFWLW-UHFFFAOYSA-N
XLogP1.56
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 ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,6-dimethylpiperidin-1-yl)-2-[ethyl(piperidin-2-ylmethyl)amino]ethanone
CID 106632312
2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-1-piperidin-1-ylethanone
CID 106618152
2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-1-(4-methylpiperazin-1-yl)ethanone
CID 106618351
N-carbamoyl-2-[ethyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106615126
N-ethyl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 4715267
1-(4-methylpiperazin-1-yl)-2-[piperidin-2-ylmethyl(propyl)amino]ethanone
CID 106636149
2-[ethyl(pyrrolidin-2-ylmethyl)amino]-N-(2-methylpropyl)acetamide
CID 106615127
2-[ethyl(pyrrolidin-2-ylmethyl)amino]-N-pyrimidin-2-ylacetamide
CID 106615538
N-ethyl-N-[[(2S)-piperidin-2-yl]methyl]ethanamine
CID 6999827
N-(4-bromophenyl)-2-[ethyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106615116
1-(3,5-dimethylpiperidin-1-yl)-2-[methyl(piperidin-3-ylmethyl)amino]ethanone
CID 106636866
3-[ethyl(pyrrolidin-2-ylmethyl)amino]-N,N-dimethylpropanamide
CID 106614989

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylpiperidin-1-yl)-2-[ethyl(pyrrolidin-2-ylmethyl)amino]ethanone?
The IUPAC name of 1-(3,5-dimethylpiperidin-1-yl)-2-[ethyl(pyrrolidin-2-ylmethyl)amino]ethanone (CID 106615332) is 1-(3,5-dimethylpiperidin-1-yl)-2-[ethyl(pyrrolidin-2-ylmethyl)amino]ethanone.
What is the SMILES notation for 1-(3,5-dimethylpiperidin-1-yl)-2-[ethyl(pyrrolidin-2-ylmethyl)amino]ethanone?
The canonical SMILES for 1-(3,5-dimethylpiperidin-1-yl)-2-[ethyl(pyrrolidin-2-ylmethyl)amino]ethanone is CCN(CC(=O)N1CC(C)CC(C)C1)CC1CCCN1.
What is the InChIKey of 1-(3,5-dimethylpiperidin-1-yl)-2-[ethyl(pyrrolidin-2-ylmethyl)amino]ethanone?
The InChIKey is NNCGDIMWFJFWLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-4-18(11-15-6-5-7-17-15)12-16(20)19-9-13(2)8-14(3)10-19/h13-15,17H,4-12H2,1-3H3.
What are the key properties of 1-(3,5-dimethylpiperidin-1-yl)-2-[ethyl(pyrrolidin-2-ylmethyl)amino]ethanone?
1-(3,5-dimethylpiperidin-1-yl)-2-[ethyl(pyrrolidin-2-ylmethyl)amino]ethanone has a molecular weight of 281.44 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylpiperidin-1-yl)-2-[ethyl(pyrrolidin-2-ylmethyl)amino]ethanone is sourced from PubChem (CID 106615332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).