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

C15H29N3O — CID 43607197

IUPAC1-(azocan-1-yl)-2-[methyl(piperidin-4-yl)amino]ethanone
SMILESCN(CC(=O)N1CCCCCCC1)C1CCNCC1
InChIInChI=1S/C15H29N3O/c1-17(14-7-9-16-10-8-14)13-15(19)18-11-5-3-2-4-6-12-18/h14,16H,2-13H2,1H3
InChIKeyOOWHSNPUKFQXSN-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.46
Rot. Bonds3

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

1-(azocan-1-yl)-2-[methyl(piperidin-4-yl)amino]ethanone (PubChem CID 43607197) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 1-(azocan-1-yl)-2-[methyl(piperidin-4-yl)amino]ethanone.

Molecular Properties

Compound Name1-(azocan-1-yl)-2-[methyl(piperidin-4-yl)amino]ethanone
PubChem CID43607197
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name1-(azocan-1-yl)-2-[methyl(piperidin-4-yl)amino]ethanone
SMILESCN(CC(=O)N1CCCCCCC1)C1CCNCC1
InChIInChI=1S/C15H29N3O/c1-17(14-7-9-16-10-8-14)13-15(19)18-11-5-3-2-4-6-12-18/h14,16H,2-13H2,1H3
InChIKeyOOWHSNPUKFQXSN-UHFFFAOYSA-N
XLogP1.46
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 ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl(piperidin-4-yl)amino]-1-piperidin-1-ylethanone;hydrochloride
CID 119913231
2-[azepan-4-yl(methyl)amino]-1-piperidin-1-ylethanone
CID 104979550
2-[methyl(pyrrolidin-3-yl)amino]-1-piperidin-1-ylethanone
CID 63301733
1-(azepan-1-yl)-2-[methyl(pyrrolidin-3-yl)amino]ethanone;hydrochloride
CID 119922846
2-[methyl-(1-methylpiperidin-4-yl)amino]-1-piperidin-1-ylethanone
CID 175826777
1-(3-hydroxypiperidin-1-yl)-2-[methyl(piperidin-4-yl)amino]ethanone;dihydrochloride
CID 154910756
2-[azepan-3-yl(methyl)amino]-1-pyrrolidin-1-ylethanone
CID 114218547
2-[(4-hydroxycyclohexyl)-methylamino]-1-pyrrolidin-1-ylethanone
CID 114762459
2-[methyl(oxan-4-yl)amino]-1-piperazin-1-ylethanone
CID 43611217
2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-1-(azocan-1-yl)ethanone
CID 61232607
2-[methyl(spiro[4.5]decan-8-yl)amino]-1-piperazin-1-ylethanone
CID 114818797
1-[3-(3-hydroxypropyl)piperidin-1-yl]-2-[methyl(piperidin-4-yl)amino]ethanone
CID 122556586

Frequently Asked Questions

What is the IUPAC name of 1-(azocan-1-yl)-2-[methyl(piperidin-4-yl)amino]ethanone?
The IUPAC name of 1-(azocan-1-yl)-2-[methyl(piperidin-4-yl)amino]ethanone (CID 43607197) is 1-(azocan-1-yl)-2-[methyl(piperidin-4-yl)amino]ethanone.
What is the SMILES notation for 1-(azocan-1-yl)-2-[methyl(piperidin-4-yl)amino]ethanone?
The canonical SMILES for 1-(azocan-1-yl)-2-[methyl(piperidin-4-yl)amino]ethanone is CN(CC(=O)N1CCCCCCC1)C1CCNCC1.
What is the InChIKey of 1-(azocan-1-yl)-2-[methyl(piperidin-4-yl)amino]ethanone?
The InChIKey is OOWHSNPUKFQXSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-17(14-7-9-16-10-8-14)13-15(19)18-11-5-3-2-4-6-12-18/h14,16H,2-13H2,1H3.
What are the key properties of 1-(azocan-1-yl)-2-[methyl(piperidin-4-yl)amino]ethanone?
1-(azocan-1-yl)-2-[methyl(piperidin-4-yl)amino]ethanone has a molecular weight of 267.42 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azocan-1-yl)-2-[methyl(piperidin-4-yl)amino]ethanone is sourced from PubChem (CID 43607197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).