4-(1,4-diazepane-1-carbonyl)-1-[2-(dimethylamino)ethyl]pyrrolidin-2-one

C14H26N4O2 — CID 119416484

IUPAC4-(1,4-diazepane-1-carbonyl)-1-[2-(dimethylamino)ethyl]pyrrolidin-2-one
SMILESCN(C)CCN1CC(C(=O)N2CCCNCC2)CC1=O
InChIInChI=1S/C14H26N4O2/c1-16(2)8-9-18-11-12(10-13(18)19)14(20)17-6-3-4-15-5-7-17/h12,15H,3-11H2,1-2H3
InChIKeyOCJPCWQVPJLXIK-UHFFFAOYSA-N
MW282.39 g/mol
LogP-0.78
Rot. Bonds4

About 4-(1,4-diazepane-1-carbonyl)-1-[2-(dimethylamino)ethyl]pyrrolidin-2-one

4-(1,4-diazepane-1-carbonyl)-1-[2-(dimethylamino)ethyl]pyrrolidin-2-one (PubChem CID 119416484) has the molecular formula C14H26N4O2 and a molecular weight of 282.39 g/mol. Its IUPAC name is 4-(1,4-diazepane-1-carbonyl)-1-[2-(dimethylamino)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-(1,4-diazepane-1-carbonyl)-1-[2-(dimethylamino)ethyl]pyrrolidin-2-one
PubChem CID119416484
Molecular FormulaC14H26N4O2
Molecular Weight282.39 g/mol
Exact Mass282.21
IUPAC Name4-(1,4-diazepane-1-carbonyl)-1-[2-(dimethylamino)ethyl]pyrrolidin-2-one
SMILESCN(C)CCN1CC(C(=O)N2CCCNCC2)CC1=O
InChIInChI=1S/C14H26N4O2/c1-16(2)8-9-18-11-12(10-13(18)19)14(20)17-6-3-4-15-5-7-17/h12,15H,3-11H2,1-2H3
InChIKeyOCJPCWQVPJLXIK-UHFFFAOYSA-N
XLogP-0.78
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 5-0.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-butyl-4-(piperazine-1-carbonyl)pyrrolidin-2-one
CID 82042052
4-(1,4-diazepane-1-carbonyl)-1-[(1-ethylpyrrolidin-2-yl)methyl]pyrrolidin-2-one
CID 119414866
4-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-1-[2-(dimethylamino)ethyl]pyrrolidin-2-one
CID 120819697
1-methyl-4-(piperazine-1-carbonyl)pyrrolidin-2-one
CID 82508282
N-(2-aminoethyl)-1-[1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxamide
CID 119480879
1-[1-[3-(dimethylamino)propyl]-5-oxopyrrolidine-3-carbonyl]piperidine-4-carboxamide
CID 108800270
(4S)-4-(piperazine-1-carbonyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 124698826
4-(piperazine-1-carbonyl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 119403234
(4S)-1-[2-(dimethylamino)ethyl]-4-[4-(3-hydroxyphenyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 95128434
(4S)-1-[2-(dimethylamino)ethyl]-4-[4-(1-methylimidazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 97150099
1-[2-(dimethylamino)ethyl]-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 113182849
1-[2-(dimethylamino)ethyl]-5-oxo-N-pyrrolidin-3-ylpyrrolidine-3-carboxamide
CID 119451954

Frequently Asked Questions

What is the IUPAC name of 4-(1,4-diazepane-1-carbonyl)-1-[2-(dimethylamino)ethyl]pyrrolidin-2-one?
The IUPAC name of 4-(1,4-diazepane-1-carbonyl)-1-[2-(dimethylamino)ethyl]pyrrolidin-2-one (CID 119416484) is 4-(1,4-diazepane-1-carbonyl)-1-[2-(dimethylamino)ethyl]pyrrolidin-2-one.
What is the SMILES notation for 4-(1,4-diazepane-1-carbonyl)-1-[2-(dimethylamino)ethyl]pyrrolidin-2-one?
The canonical SMILES for 4-(1,4-diazepane-1-carbonyl)-1-[2-(dimethylamino)ethyl]pyrrolidin-2-one is CN(C)CCN1CC(C(=O)N2CCCNCC2)CC1=O.
What is the InChIKey of 4-(1,4-diazepane-1-carbonyl)-1-[2-(dimethylamino)ethyl]pyrrolidin-2-one?
The InChIKey is OCJPCWQVPJLXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2/c1-16(2)8-9-18-11-12(10-13(18)19)14(20)17-6-3-4-15-5-7-17/h12,15H,3-11H2,1-2H3.
What are the key properties of 4-(1,4-diazepane-1-carbonyl)-1-[2-(dimethylamino)ethyl]pyrrolidin-2-one?
4-(1,4-diazepane-1-carbonyl)-1-[2-(dimethylamino)ethyl]pyrrolidin-2-one has a molecular weight of 282.39 g/mol, XLogP of -0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,4-diazepane-1-carbonyl)-1-[2-(dimethylamino)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 119416484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).