1-methyl-3-[methyl-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]amino]pyrrolidin-2-one

C18H28N4O — CID 126784510

IUPAC1-methyl-3-[methyl-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]amino]pyrrolidin-2-one
SMILESCN1CCC(N(C)CCC2CCN(c3ccncc3)CC2)C1=O
InChIInChI=1S/C18H28N4O/c1-20(17-8-12-21(2)18(17)23)11-5-15-6-13-22(14-7-15)16-3-9-19-10-4-16/h3-4,9-10,15,17H,5-8,11-14H2,1-2H3
InChIKeyHGRQTTXFHVFRMI-UHFFFAOYSA-N
MW316.45 g/mol
LogP1.85
Rot. Bonds5

About 1-methyl-3-[methyl-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]amino]pyrrolidin-2-one

1-methyl-3-[methyl-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]amino]pyrrolidin-2-one (PubChem CID 126784510) has the molecular formula C18H28N4O and a molecular weight of 316.45 g/mol. Its IUPAC name is 1-methyl-3-[methyl-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]amino]pyrrolidin-2-one.

Molecular Properties

Compound Name1-methyl-3-[methyl-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]amino]pyrrolidin-2-one
PubChem CID126784510
Molecular FormulaC18H28N4O
Molecular Weight316.45 g/mol
Exact Mass316.23
IUPAC Name1-methyl-3-[methyl-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]amino]pyrrolidin-2-one
SMILESCN1CCC(N(C)CCC2CCN(c3ccncc3)CC2)C1=O
InChIInChI=1S/C18H28N4O/c1-20(17-8-12-21(2)18(17)23)11-5-15-6-13-22(14-7-15)16-3-9-19-10-4-16/h3-4,9-10,15,17H,5-8,11-14H2,1-2H3
InChIKeyHGRQTTXFHVFRMI-UHFFFAOYSA-N
XLogP1.85
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-methylpyrazol-4-yl)-3-[methyl-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]amino]piperidin-2-one
CID 126770133
(2R)-2-amino-N-methyl-N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]butanamide
CID 99697299
1-[2-(1-methylpiperidin-4-yl)ethyl]-4-pyridin-4-ylpiperazine
CID 143388333
2-methyl-4-(1-pyridin-4-ylpiperidin-4-yl)butanamide
CID 140553160
(2S)-1-butanoyl-N-methyl-N-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]piperidine-2-carboxamide
CID 97255400
2-(1-pyridin-4-ylpiperidin-4-yl)acetate
CID 18918250
N,N-dimethyl-2-[[[methyl-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]amino]-(prop-2-enylamino)methylidene]amino]acetamide
CID 110049598
2-(1-pyridin-4-ylpiperidin-4-yl)acetyl chloride;hydrochloride
CID 22721805
2-[[butylamino-[methyl-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110049577
tert-butyl N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]carbamate
CID 20801237
4-[4-(piperidin-1-ylmethyl)piperidin-1-yl]pyridine
CID 70759625
2-(1-pyridin-4-ylpyrrolidin-3-yl)ethanamine
CID 83618668

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[methyl-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]amino]pyrrolidin-2-one?
The IUPAC name of 1-methyl-3-[methyl-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]amino]pyrrolidin-2-one (CID 126784510) is 1-methyl-3-[methyl-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]amino]pyrrolidin-2-one.
What is the SMILES notation for 1-methyl-3-[methyl-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]amino]pyrrolidin-2-one?
The canonical SMILES for 1-methyl-3-[methyl-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]amino]pyrrolidin-2-one is CN1CCC(N(C)CCC2CCN(c3ccncc3)CC2)C1=O.
What is the InChIKey of 1-methyl-3-[methyl-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]amino]pyrrolidin-2-one?
The InChIKey is HGRQTTXFHVFRMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O/c1-20(17-8-12-21(2)18(17)23)11-5-15-6-13-22(14-7-15)16-3-9-19-10-4-16/h3-4,9-10,15,17H,5-8,11-14H2,1-2H3.
What are the key properties of 1-methyl-3-[methyl-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]amino]pyrrolidin-2-one?
1-methyl-3-[methyl-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]amino]pyrrolidin-2-one has a molecular weight of 316.45 g/mol, XLogP of 1.85, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[methyl-[2-(1-pyridin-4-ylpiperidin-4-yl)ethyl]amino]pyrrolidin-2-one is sourced from PubChem (CID 126784510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).