4-[1-[2-(diethylamino)ethyl]piperidin-2-yl]pyrrolidin-2-one

C15H29N3O — CID 86785110

IUPAC4-[1-[2-(diethylamino)ethyl]piperidin-2-yl]pyrrolidin-2-one
SMILESCCN(CC)CCN1CCCCC1C1CNC(=O)C1
InChIInChI=1S/C15H29N3O/c1-3-17(4-2)9-10-18-8-6-5-7-14(18)13-11-15(19)16-12-13/h13-14H,3-12H2,1-2H3,(H,16,19)
InChIKeyQMOSCNVCYPKZRJ-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.32
Rot. Bonds6

About 4-[1-[2-(diethylamino)ethyl]piperidin-2-yl]pyrrolidin-2-one

4-[1-[2-(diethylamino)ethyl]piperidin-2-yl]pyrrolidin-2-one (PubChem CID 86785110) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 4-[1-[2-(diethylamino)ethyl]piperidin-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[1-[2-(diethylamino)ethyl]piperidin-2-yl]pyrrolidin-2-one
PubChem CID86785110
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name4-[1-[2-(diethylamino)ethyl]piperidin-2-yl]pyrrolidin-2-one
SMILESCCN(CC)CCN1CCCCC1C1CNC(=O)C1
InChIInChI=1S/C15H29N3O/c1-3-17(4-2)9-10-18-8-6-5-7-14(18)13-11-15(19)16-12-13/h13-14H,3-12H2,1-2H3,(H,16,19)
InChIKeyQMOSCNVCYPKZRJ-UHFFFAOYSA-N
XLogP1.32
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-4-[(2S)-1-[(4-chloro-2-methylphenyl)methyl]piperidin-2-yl]pyrrolidin-2-one
CID 100698244
2-[1-[2-(diethylamino)ethyl]piperidin-2-yl]ethanamine
CID 63760471
N-[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]ethyl]-N',N'-diethylethane-1,2-diamine
CID 102728652
(4S)-4-[(2S)-1-[(2-chloro-5-fluorophenyl)methyl]piperidin-2-yl]pyrrolidin-2-one
CID 100642697
2-[2-(2,2-diphenyl-1,3-dioxolan-4-yl)piperidin-1-yl]-N,N-diethylethanamine
CID 122236798
N,N-diethyl-2-[2-(ethylaminomethyl)piperidin-1-yl]ethanamine
CID 63847288
4-[1-[(5-phenoxyfuran-2-yl)methyl]piperidin-2-yl]pyrrolidin-2-one
CID 86785695
(4R)-4-[(2S)-1-[(5-phenoxyfuran-2-yl)methyl]piperidin-2-yl]pyrrolidin-2-one
CID 99853102
[(2R)-1-[2-(diethylamino)ethyl]pyrrolidin-2-yl]methanol
CID 115277584
N,N-diethyl-2-[(2R)-2-methylpiperazin-1-yl]ethanamine
CID 82760939
1-propyl-2,3,4,4a,5,7,8,8a-octahydroquinolin-6-one
CID 13457870
(2S)-2-[(3R)-piperidin-3-yl]-1-propylpiperidine
CID 95241605

Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-(diethylamino)ethyl]piperidin-2-yl]pyrrolidin-2-one?
The IUPAC name of 4-[1-[2-(diethylamino)ethyl]piperidin-2-yl]pyrrolidin-2-one (CID 86785110) is 4-[1-[2-(diethylamino)ethyl]piperidin-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 4-[1-[2-(diethylamino)ethyl]piperidin-2-yl]pyrrolidin-2-one?
The canonical SMILES for 4-[1-[2-(diethylamino)ethyl]piperidin-2-yl]pyrrolidin-2-one is CCN(CC)CCN1CCCCC1C1CNC(=O)C1.
What is the InChIKey of 4-[1-[2-(diethylamino)ethyl]piperidin-2-yl]pyrrolidin-2-one?
The InChIKey is QMOSCNVCYPKZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-3-17(4-2)9-10-18-8-6-5-7-14(18)13-11-15(19)16-12-13/h13-14H,3-12H2,1-2H3,(H,16,19).
What are the key properties of 4-[1-[2-(diethylamino)ethyl]piperidin-2-yl]pyrrolidin-2-one?
4-[1-[2-(diethylamino)ethyl]piperidin-2-yl]pyrrolidin-2-one has a molecular weight of 267.42 g/mol, XLogP of 1.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[2-(diethylamino)ethyl]piperidin-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 86785110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).