1-ethyl-6-methyl-3-[4-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]pyridin-2-one

C19H27N3O3 — CID 70717837

IUPAC1-ethyl-6-methyl-3-[4-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]pyridin-2-one
SMILESCCn1c(C)ccc(C(=O)N2CCC(C(=O)N3CCCC3)CC2)c1=O
InChIInChI=1S/C19H27N3O3/c1-3-22-14(2)6-7-16(19(22)25)18(24)21-12-8-15(9-13-21)17(23)20-10-4-5-11-20/h6-7,15H,3-5,8-13H2,1-2H3
InChIKeyHKCMQSGKDZDFED-UHFFFAOYSA-N
MW345.44 g/mol
LogP1.65
Rot. Bonds3

About 1-ethyl-6-methyl-3-[4-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]pyridin-2-one

1-ethyl-6-methyl-3-[4-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]pyridin-2-one (PubChem CID 70717837) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 1-ethyl-6-methyl-3-[4-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]pyridin-2-one.

Molecular Properties

Compound Name1-ethyl-6-methyl-3-[4-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]pyridin-2-one
PubChem CID70717837
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name1-ethyl-6-methyl-3-[4-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]pyridin-2-one
SMILESCCn1c(C)ccc(C(=O)N2CCC(C(=O)N3CCCC3)CC2)c1=O
InChIInChI=1S/C19H27N3O3/c1-3-22-14(2)6-7-16(19(22)25)18(24)21-12-8-15(9-13-21)17(23)20-10-4-5-11-20/h6-7,15H,3-5,8-13H2,1-2H3
InChIKeyHKCMQSGKDZDFED-UHFFFAOYSA-N
XLogP1.65
TPSA62.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(1-benzyl-2,5-dimethylpyrrole-3-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 51286856
[1-(2-methylbenzoyl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 70845735
3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)piperidine-1-carbonyl]-1-ethyl-6-methylpyridin-2-one
CID 56891876
azepan-1-yl-[1-(2,3-dimethylbenzoyl)piperidin-4-yl]methanone
CID 134029841
1-ethyl-3-[(3S,4S)-3-hydroxy-4-propan-2-yloxypyrrolidine-1-carbonyl]-6-methylpyridin-2-one
CID 119061996
[1-(2,5-dimethylfuran-3-carbonyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 134026633
[1-(2,4-difluorobenzoyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 78803342
[1-(2-chlorobenzoyl)piperidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 17223445
[1-(2-bromobenzoyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 36802255
azepan-1-yl-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone
CID 27659108
[1-(2-propylsulfonylbenzoyl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 86982540
1-[4-(piperidine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 113003020

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-methyl-3-[4-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]pyridin-2-one?
The IUPAC name of 1-ethyl-6-methyl-3-[4-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]pyridin-2-one (CID 70717837) is 1-ethyl-6-methyl-3-[4-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]pyridin-2-one.
What is the SMILES notation for 1-ethyl-6-methyl-3-[4-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]pyridin-2-one?
The canonical SMILES for 1-ethyl-6-methyl-3-[4-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]pyridin-2-one is CCn1c(C)ccc(C(=O)N2CCC(C(=O)N3CCCC3)CC2)c1=O.
What is the InChIKey of 1-ethyl-6-methyl-3-[4-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]pyridin-2-one?
The InChIKey is HKCMQSGKDZDFED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-3-22-14(2)6-7-16(19(22)25)18(24)21-12-8-15(9-13-21)17(23)20-10-4-5-11-20/h6-7,15H,3-5,8-13H2,1-2H3.
What are the key properties of 1-ethyl-6-methyl-3-[4-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]pyridin-2-one?
1-ethyl-6-methyl-3-[4-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]pyridin-2-one has a molecular weight of 345.44 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-methyl-3-[4-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]pyridin-2-one is sourced from PubChem (CID 70717837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).