1-(1,4-diazepan-1-yl)-2-(4,4-diethylpiperidin-1-yl)ethanone

C16H31N3O — CID 63160661

IUPAC1-(1,4-diazepan-1-yl)-2-(4,4-diethylpiperidin-1-yl)ethanone
SMILESCCC1(CC)CCN(CC(=O)N2CCCNCC2)CC1
InChIInChI=1S/C16H31N3O/c1-3-16(4-2)6-11-18(12-7-16)14-15(20)19-10-5-8-17-9-13-19/h17H,3-14H2,1-2H3
InChIKeyOOBAHXQTJBNHNN-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.71
Rot. Bonds4

About 1-(1,4-diazepan-1-yl)-2-(4,4-diethylpiperidin-1-yl)ethanone

1-(1,4-diazepan-1-yl)-2-(4,4-diethylpiperidin-1-yl)ethanone (PubChem CID 63160661) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 1-(1,4-diazepan-1-yl)-2-(4,4-diethylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(1,4-diazepan-1-yl)-2-(4,4-diethylpiperidin-1-yl)ethanone
PubChem CID63160661
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name1-(1,4-diazepan-1-yl)-2-(4,4-diethylpiperidin-1-yl)ethanone
SMILESCCC1(CC)CCN(CC(=O)N2CCCNCC2)CC1
InChIInChI=1S/C16H31N3O/c1-3-16(4-2)6-11-18(12-7-16)14-15(20)19-10-5-8-17-9-13-19/h17H,3-14H2,1-2H3
InChIKeyOOBAHXQTJBNHNN-UHFFFAOYSA-N
XLogP1.71
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

Analyze 1-(1,4-diazepan-1-yl)-2-(4,4-diethylpiperidin-1-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(1,4-diazepan-1-yl)acetyl]-4-ethylpiperidine-4-carboxylic acid
CID 63125536
1-piperazin-1-yl-2-pyrrolidin-1-ylethanone
CID 13057079
2-(1,4-diazepan-1-yl)-1-(4-methyl-1,4-diazepan-1-yl)ethanone
CID 55123228
1-(1,4-diazepan-1-yl)-2-(3,3,4-trimethylpiperazin-1-yl)ethanone
CID 63611091
1-(1,4-diazepan-1-yl)-2-[4-(dimethylamino)piperidin-1-yl]ethanone
CID 54981545
1-[2-(1,4-diazepan-1-yl)acetyl]-3-ethylpiperidine-3-carboxylic acid
CID 63134718
1-(1,4-diazepan-1-yl)butan-1-one
CID 10631004
1-[2-(azetidin-1-yl)-2-oxoethyl]-4-ethylpiperidine-4-carboxylic acid
CID 55176425
2-(4-cyclopentylpiperazin-1-yl)-1-(1,4-diazepan-1-yl)ethanone
CID 62370097
1-(8-azaspiro[4.5]decan-8-yl)-2-piperazin-1-ylethanone
CID 63163322
1-(1,4-diazepan-1-yl)-2-(3,4-dimethylpiperazin-1-yl)ethanone
CID 63611089
1-(azetidin-1-yl)-2-pyrrolidin-1-ylethanone
CID 91265703

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-diazepan-1-yl)-2-(4,4-diethylpiperidin-1-yl)ethanone?
The IUPAC name of 1-(1,4-diazepan-1-yl)-2-(4,4-diethylpiperidin-1-yl)ethanone (CID 63160661) is 1-(1,4-diazepan-1-yl)-2-(4,4-diethylpiperidin-1-yl)ethanone.
What is the SMILES notation for 1-(1,4-diazepan-1-yl)-2-(4,4-diethylpiperidin-1-yl)ethanone?
The canonical SMILES for 1-(1,4-diazepan-1-yl)-2-(4,4-diethylpiperidin-1-yl)ethanone is CCC1(CC)CCN(CC(=O)N2CCCNCC2)CC1.
What is the InChIKey of 1-(1,4-diazepan-1-yl)-2-(4,4-diethylpiperidin-1-yl)ethanone?
The InChIKey is OOBAHXQTJBNHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-3-16(4-2)6-11-18(12-7-16)14-15(20)19-10-5-8-17-9-13-19/h17H,3-14H2,1-2H3.
What are the key properties of 1-(1,4-diazepan-1-yl)-2-(4,4-diethylpiperidin-1-yl)ethanone?
1-(1,4-diazepan-1-yl)-2-(4,4-diethylpiperidin-1-yl)ethanone has a molecular weight of 281.44 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-diazepan-1-yl)-2-(4,4-diethylpiperidin-1-yl)ethanone is sourced from PubChem (CID 63160661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).