2-[azepan-4-yl(methyl)amino]-1-piperidin-1-ylethanone

C14H27N3O — CID 104979550

IUPAC2-[azepan-4-yl(methyl)amino]-1-piperidin-1-ylethanone
SMILESCN(CC(=O)N1CCCCC1)C1CCCNCC1
InChIInChI=1S/C14H27N3O/c1-16(13-6-5-8-15-9-7-13)12-14(18)17-10-3-2-4-11-17/h13,15H,2-12H2,1H3
InChIKeyPQNFDZKQFQFKME-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.07
Rot. Bonds3

About 2-[azepan-4-yl(methyl)amino]-1-piperidin-1-ylethanone

2-[azepan-4-yl(methyl)amino]-1-piperidin-1-ylethanone (PubChem CID 104979550) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-[azepan-4-yl(methyl)amino]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[azepan-4-yl(methyl)amino]-1-piperidin-1-ylethanone
PubChem CID104979550
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name2-[azepan-4-yl(methyl)amino]-1-piperidin-1-ylethanone
SMILESCN(CC(=O)N1CCCCC1)C1CCCNCC1
InChIInChI=1S/C14H27N3O/c1-16(13-6-5-8-15-9-7-13)12-14(18)17-10-3-2-4-11-17/h13,15H,2-12H2,1H3
InChIKeyPQNFDZKQFQFKME-UHFFFAOYSA-N
XLogP1.07
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(azocan-1-yl)-2-[methyl(piperidin-4-yl)amino]ethanone
CID 43607197
2-[methyl(piperidin-4-yl)amino]-1-piperidin-1-ylethanone;hydrochloride
CID 119913231
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-[azepan-3-yl(methyl)amino]-1-pyrrolidin-1-ylethanone
CID 114218547
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-4-yl(methyl)amino]acetic acid
CID 107173147
1-[2-[cycloheptyl(methyl)amino]acetyl]piperidine-4-carboxylic acid
CID 62657437
2-[(4-hydroxycyclohexyl)-methylamino]-1-pyrrolidin-1-ylethanone
CID 114762459
2-(dicyclohexylamino)-1-pyrrolidin-1-ylethanone
CID 78843214
2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-1-(azocan-1-yl)ethanone
CID 61232607

Frequently Asked Questions

What is the IUPAC name of 2-[azepan-4-yl(methyl)amino]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[azepan-4-yl(methyl)amino]-1-piperidin-1-ylethanone (CID 104979550) is 2-[azepan-4-yl(methyl)amino]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[azepan-4-yl(methyl)amino]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[azepan-4-yl(methyl)amino]-1-piperidin-1-ylethanone is CN(CC(=O)N1CCCCC1)C1CCCNCC1.
What is the InChIKey of 2-[azepan-4-yl(methyl)amino]-1-piperidin-1-ylethanone?
The InChIKey is PQNFDZKQFQFKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-16(13-6-5-8-15-9-7-13)12-14(18)17-10-3-2-4-11-17/h13,15H,2-12H2,1H3.
What are the key properties of 2-[azepan-4-yl(methyl)amino]-1-piperidin-1-ylethanone?
2-[azepan-4-yl(methyl)amino]-1-piperidin-1-ylethanone has a molecular weight of 253.39 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[azepan-4-yl(methyl)amino]-1-piperidin-1-ylethanone is sourced from PubChem (CID 104979550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).