1-[2-(dimethylamino)ethyl]-4-[4-(1-methylimidazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one

C18H29N5O2 — CID 70777043

IUPAC1-[2-(dimethylamino)ethyl]-4-[4-(1-methylimidazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one
SMILESCN(C)CCN1CC(C(=O)N2CCC(c3nccn3C)CC2)CC1=O
InChIInChI=1S/C18H29N5O2/c1-20(2)10-11-23-13-15(12-16(23)24)18(25)22-7-4-14(5-8-22)17-19-6-9-21(17)3/h6,9,14-15H,4-5,7-8,10-13H2,1-3H3
InChIKeyXIPHGUJPCJFYJN-UHFFFAOYSA-N
MW347.46 g/mol
LogP0.54
Rot. Bonds5

About 1-[2-(dimethylamino)ethyl]-4-[4-(1-methylimidazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one

1-[2-(dimethylamino)ethyl]-4-[4-(1-methylimidazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one (PubChem CID 70777043) has the molecular formula C18H29N5O2 and a molecular weight of 347.46 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-4-[4-(1-methylimidazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-4-[4-(1-methylimidazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one
PubChem CID70777043
Molecular FormulaC18H29N5O2
Molecular Weight347.46 g/mol
Exact Mass347.23
IUPAC Name1-[2-(dimethylamino)ethyl]-4-[4-(1-methylimidazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one
SMILESCN(C)CCN1CC(C(=O)N2CCC(c3nccn3C)CC2)CC1=O
InChIInChI=1S/C18H29N5O2/c1-20(2)10-11-23-13-15(12-16(23)24)18(25)22-7-4-14(5-8-22)17-19-6-9-21(17)3/h6,9,14-15H,4-5,7-8,10-13H2,1-3H3
InChIKeyXIPHGUJPCJFYJN-UHFFFAOYSA-N
XLogP0.54
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-4-[4-(1-methylimidazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-4-[4-(1-methylimidazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one (CID 70777043) is 1-[2-(dimethylamino)ethyl]-4-[4-(1-methylimidazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-4-[4-(1-methylimidazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-4-[4-(1-methylimidazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one is CN(C)CCN1CC(C(=O)N2CCC(c3nccn3C)CC2)CC1=O.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-4-[4-(1-methylimidazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one?
The InChIKey is XIPHGUJPCJFYJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O2/c1-20(2)10-11-23-13-15(12-16(23)24)18(25)22-7-4-14(5-8-22)17-19-6-9-21(17)3/h6,9,14-15H,4-5,7-8,10-13H2,1-3H3.
What are the key properties of 1-[2-(dimethylamino)ethyl]-4-[4-(1-methylimidazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one?
1-[2-(dimethylamino)ethyl]-4-[4-(1-methylimidazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one has a molecular weight of 347.46 g/mol, XLogP of 0.54, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-4-[4-(1-methylimidazol-2-yl)piperidine-1-carbonyl]pyrrolidin-2-one is sourced from PubChem (CID 70777043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).