1,2-dimethyl-6-[4-(2-pyrrolidin-1-ylethyl)piperidine-1-carbonyl]pyridin-4-one

C19H29N3O2 — CID 118765881

IUPAC1,2-dimethyl-6-[4-(2-pyrrolidin-1-ylethyl)piperidine-1-carbonyl]pyridin-4-one
SMILESCc1cc(=O)cc(C(=O)N2CCC(CCN3CCCC3)CC2)n1C
InChIInChI=1S/C19H29N3O2/c1-15-13-17(23)14-18(20(15)2)19(24)22-11-6-16(7-12-22)5-10-21-8-3-4-9-21/h13-14,16H,3-12H2,1-2H3
InChIKeyOXWQIFOJXQSUKM-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.03
Rot. Bonds4

About 1,2-dimethyl-6-[4-(2-pyrrolidin-1-ylethyl)piperidine-1-carbonyl]pyridin-4-one

1,2-dimethyl-6-[4-(2-pyrrolidin-1-ylethyl)piperidine-1-carbonyl]pyridin-4-one (PubChem CID 118765881) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 1,2-dimethyl-6-[4-(2-pyrrolidin-1-ylethyl)piperidine-1-carbonyl]pyridin-4-one.

Molecular Properties

Compound Name1,2-dimethyl-6-[4-(2-pyrrolidin-1-ylethyl)piperidine-1-carbonyl]pyridin-4-one
PubChem CID118765881
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name1,2-dimethyl-6-[4-(2-pyrrolidin-1-ylethyl)piperidine-1-carbonyl]pyridin-4-one
SMILESCc1cc(=O)cc(C(=O)N2CCC(CCN3CCCC3)CC2)n1C
InChIInChI=1S/C19H29N3O2/c1-15-13-17(23)14-18(20(15)2)19(24)22-11-6-16(7-12-22)5-10-21-8-3-4-9-21/h13-14,16H,3-12H2,1-2H3
InChIKeyOXWQIFOJXQSUKM-UHFFFAOYSA-N
XLogP2.03
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-methoxyethoxy)piperidine-1-carbonyl]-1,6-dimethylpyridin-4-one
CID 118776796
2-[4-(1-methoxypropan-2-yl)piperidine-1-carbonyl]-1,6-dimethylpyridin-4-one
CID 118784674
[4-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]-(2-pyrrolidin-1-ylpyrimidin-5-yl)methanone
CID 20959362
2-[(3S)-3-[(3-methoxyphenoxy)methyl]piperidine-1-carbonyl]-1,6-dimethylpyridin-4-one
CID 126433367
1-[2-[1-(5-fluoro-1-methylindole-2-carbonyl)piperidin-4-yl]ethyl]pyrrolidin-2-one
CID 70762197
2-[(1R,6S,8R)-8-(4-methoxypiperidine-1-carbonyl)-3-azabicyclo[4.2.0]octane-3-carbonyl]-1,6-dimethylpyridin-4-one
CID 169415364
[4-(2-piperidin-1-ylethyl)piperidin-1-yl]-(4-propan-2-yloxyphenyl)methanone;hydrochloride
CID 52985386
tert-butyl 4-(2-piperidin-1-ylethyl)piperidine-1-carboxylate
CID 68532182
[4-[4-[2-[1-[(2-methylpropan-2-yl)oxy]piperidin-4-yl]ethyl]piperazin-1-yl]phenyl]-pyrrolidin-1-ylmethanone
CID 143388321
1-[2-[1-(1-methyl-5-phenylpyrrole-2-carbonyl)piperidin-4-yl]ethyl]pyrrolidin-2-one
CID 72901999
(1,5-dimethylpyrrol-2-yl)-(4-hydroxypiperidin-1-yl)methanone
CID 43416076
[3-(aminomethyl)pyrrolidin-1-yl]-(1,5-dimethylpyrrol-2-yl)methanone
CID 62063026

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-6-[4-(2-pyrrolidin-1-ylethyl)piperidine-1-carbonyl]pyridin-4-one?
The IUPAC name of 1,2-dimethyl-6-[4-(2-pyrrolidin-1-ylethyl)piperidine-1-carbonyl]pyridin-4-one (CID 118765881) is 1,2-dimethyl-6-[4-(2-pyrrolidin-1-ylethyl)piperidine-1-carbonyl]pyridin-4-one.
What is the SMILES notation for 1,2-dimethyl-6-[4-(2-pyrrolidin-1-ylethyl)piperidine-1-carbonyl]pyridin-4-one?
The canonical SMILES for 1,2-dimethyl-6-[4-(2-pyrrolidin-1-ylethyl)piperidine-1-carbonyl]pyridin-4-one is Cc1cc(=O)cc(C(=O)N2CCC(CCN3CCCC3)CC2)n1C.
What is the InChIKey of 1,2-dimethyl-6-[4-(2-pyrrolidin-1-ylethyl)piperidine-1-carbonyl]pyridin-4-one?
The InChIKey is OXWQIFOJXQSUKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-15-13-17(23)14-18(20(15)2)19(24)22-11-6-16(7-12-22)5-10-21-8-3-4-9-21/h13-14,16H,3-12H2,1-2H3.
What are the key properties of 1,2-dimethyl-6-[4-(2-pyrrolidin-1-ylethyl)piperidine-1-carbonyl]pyridin-4-one?
1,2-dimethyl-6-[4-(2-pyrrolidin-1-ylethyl)piperidine-1-carbonyl]pyridin-4-one has a molecular weight of 331.46 g/mol, XLogP of 2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-6-[4-(2-pyrrolidin-1-ylethyl)piperidine-1-carbonyl]pyridin-4-one is sourced from PubChem (CID 118765881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).