N,N-dimethyl-2-[4-(2-oxo-1-propan-2-ylpiperidin-3-yl)-1,4-diazepan-1-yl]acetamide

C17H32N4O2 — CID 71863183

IUPACN,N-dimethyl-2-[4-(2-oxo-1-propan-2-ylpiperidin-3-yl)-1,4-diazepan-1-yl]acetamide
SMILESCC(C)N1CCCC(N2CCCN(CC(=O)N(C)C)CC2)C1=O
InChIInChI=1S/C17H32N4O2/c1-14(2)21-10-5-7-15(17(21)23)20-9-6-8-19(11-12-20)13-16(22)18(3)4/h14-15H,5-13H2,1-4H3
InChIKeyCOKIHKVDFGTLAO-UHFFFAOYSA-N
MW324.47 g/mol
LogP0.48
Rot. Bonds4

About N,N-dimethyl-2-[4-(2-oxo-1-propan-2-ylpiperidin-3-yl)-1,4-diazepan-1-yl]acetamide

N,N-dimethyl-2-[4-(2-oxo-1-propan-2-ylpiperidin-3-yl)-1,4-diazepan-1-yl]acetamide (PubChem CID 71863183) has the molecular formula C17H32N4O2 and a molecular weight of 324.47 g/mol. Its IUPAC name is N,N-dimethyl-2-[4-(2-oxo-1-propan-2-ylpiperidin-3-yl)-1,4-diazepan-1-yl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[4-(2-oxo-1-propan-2-ylpiperidin-3-yl)-1,4-diazepan-1-yl]acetamide
PubChem CID71863183
Molecular FormulaC17H32N4O2
Molecular Weight324.47 g/mol
Exact Mass324.25
IUPAC NameN,N-dimethyl-2-[4-(2-oxo-1-propan-2-ylpiperidin-3-yl)-1,4-diazepan-1-yl]acetamide
SMILESCC(C)N1CCCC(N2CCCN(CC(=O)N(C)C)CC2)C1=O
InChIInChI=1S/C17H32N4O2/c1-14(2)21-10-5-7-15(17(21)23)20-9-6-8-19(11-12-20)13-16(22)18(3)4/h14-15H,5-13H2,1-4H3
InChIKeyCOKIHKVDFGTLAO-UHFFFAOYSA-N
XLogP0.48
TPSA47.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N,N-dimethyl-2-[4-(2-oxo-1-propan-2-ylpiperidin-3-yl)-1,4-diazepan-1-yl]acetamide with MolForge

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Related Compounds

(R)-4-((S)-3-amino-4-(2-oxopiperidin-1-yl)butanoyl)-3-methyl-1,4-diazepan-2-one
CID 44561191
2-[(3S)-3-(azepan-1-yl)piperidin-1-yl]-N-methyl-N-propan-2-ylacetamide
CID 95337344
1-[(2S)-4-[4-(cyclobutylmethyl)-1,4-diazepan-1-yl]-4-oxobutan-2-yl]piperidin-2-one
CID 124258228
1-[4-[1-(2-Methylpropyl)piperidine-2-carbonyl]-1,4-diazepan-1-yl]ethanone
CID 75462160
(3S,6S)-1,3,4-trimethyl-6-propylpiperazine-2,5-dione
CID 10798024
(3S,6R)-1,3,4-trimethyl-6-propylpiperazine-2,5-dione
CID 100971985
1,4-Dimethyl-3,6-dipropylpiperazine-2,5-dione
CID 12206403
2-(4-Piperidin-1-ylpiperidin-1-yl)-1-(4-propan-2-yl-1,4-diazepan-1-yl)ethanone
CID 58826208
2-(4-Butyl-1,4-diazepan-1-yl)-1-(4-cyclopentylpiperazin-1-yl)ethanone
CID 58826232
2-(4-Butyl-1,4-diazepan-1-yl)-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone
CID 58826255
2-(4-Butyl-1,4-diazepan-1-yl)-1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 58826268
2-(4-Cyclopentylpiperazin-1-yl)-1-(4-propan-2-yl-1,4-diazepan-1-yl)ethanone
CID 58826271

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[4-(2-oxo-1-propan-2-ylpiperidin-3-yl)-1,4-diazepan-1-yl]acetamide?
The IUPAC name of N,N-dimethyl-2-[4-(2-oxo-1-propan-2-ylpiperidin-3-yl)-1,4-diazepan-1-yl]acetamide (CID 71863183) is N,N-dimethyl-2-[4-(2-oxo-1-propan-2-ylpiperidin-3-yl)-1,4-diazepan-1-yl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[4-(2-oxo-1-propan-2-ylpiperidin-3-yl)-1,4-diazepan-1-yl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[4-(2-oxo-1-propan-2-ylpiperidin-3-yl)-1,4-diazepan-1-yl]acetamide is CC(C)N1CCCC(N2CCCN(CC(=O)N(C)C)CC2)C1=O.
What is the InChIKey of N,N-dimethyl-2-[4-(2-oxo-1-propan-2-ylpiperidin-3-yl)-1,4-diazepan-1-yl]acetamide?
The InChIKey is COKIHKVDFGTLAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4O2/c1-14(2)21-10-5-7-15(17(21)23)20-9-6-8-19(11-12-20)13-16(22)18(3)4/h14-15H,5-13H2,1-4H3.
What are the key properties of N,N-dimethyl-2-[4-(2-oxo-1-propan-2-ylpiperidin-3-yl)-1,4-diazepan-1-yl]acetamide?
N,N-dimethyl-2-[4-(2-oxo-1-propan-2-ylpiperidin-3-yl)-1,4-diazepan-1-yl]acetamide has a molecular weight of 324.47 g/mol, XLogP of 0.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[4-(2-oxo-1-propan-2-ylpiperidin-3-yl)-1,4-diazepan-1-yl]acetamide is sourced from PubChem (CID 71863183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).