1-[2-[[1-[(2R)-2-hydroxypropyl]piperidin-4-yl]methylamino]ethyl]pyrrolidin-2-one

C15H29N3O2 — CID 95300593

IUPAC1-[2-[[1-[(2R)-2-hydroxypropyl]piperidin-4-yl]methylamino]ethyl]pyrrolidin-2-one
SMILESC[C@@H](O)CN1CCC(CNCCN2CCCC2=O)CC1
InChIInChI=1S/C15H29N3O2/c1-13(19)12-17-8-4-14(5-9-17)11-16-6-10-18-7-2-3-15(18)20/h13-14,16,19H,2-12H2,1H3/t13-/m1/s1
InChIKeyGQTIMYBIKRDLGO-CYBMUJFWSA-N
MW283.42 g/mol
LogP0.29
Rot. Bonds7

About 1-[2-[[1-[(2R)-2-hydroxypropyl]piperidin-4-yl]methylamino]ethyl]pyrrolidin-2-one

1-[2-[[1-[(2R)-2-hydroxypropyl]piperidin-4-yl]methylamino]ethyl]pyrrolidin-2-one (PubChem CID 95300593) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is 1-[2-[[1-[(2R)-2-hydroxypropyl]piperidin-4-yl]methylamino]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[[1-[(2R)-2-hydroxypropyl]piperidin-4-yl]methylamino]ethyl]pyrrolidin-2-one
PubChem CID95300593
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Name1-[2-[[1-[(2R)-2-hydroxypropyl]piperidin-4-yl]methylamino]ethyl]pyrrolidin-2-one
SMILESC[C@@H](O)CN1CCC(CNCCN2CCCC2=O)CC1
InChIInChI=1S/C15H29N3O2/c1-13(19)12-17-8-4-14(5-9-17)11-16-6-10-18-7-2-3-15(18)20/h13-14,16,19H,2-12H2,1H3/t13-/m1/s1
InChIKeyGQTIMYBIKRDLGO-CYBMUJFWSA-N
XLogP0.29
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[3-[[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]methylamino]propyl]pyrrolidin-2-one
CID 95304874
1-[2-[[1-[(2S)-2-hydroxy-2-phenylethyl]piperidin-4-yl]methylamino]ethyl]pyrrolidin-2-one
CID 95607291
1-[2-[4-(1-hydroxyethyl)piperidin-1-yl]ethyl]pyrrolidin-2-one
CID 111114050
1-[2-[3-[2-(2-oxopyrrolidin-1-yl)ethylamino]propylamino]ethyl]pyrrolidin-2-one
CID 19837416
N-[[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]methyl]acetamide
CID 106932924
1-[(2R)-2-hydroxypropyl]azocan-2-one
CID 103935311
1-[(2R)-2-hydroxypropyl]-5-propylazepan-2-one
CID 103935393
(2R)-1-[4-[(2-thiophen-2-ylethylamino)methyl]piperidin-1-yl]propan-2-ol
CID 95299755
1-[2-(ethylamino)ethyl]piperidin-2-one
CID 61387338
1-[3-[[(6R)-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methylamino]propyl]pyrrolidin-2-one
CID 95750292
1-[2-[[1-(2-methylpropyl)piperidin-4-yl]amino]propyl]pyrrolidin-2-one
CID 103778451
1-[2-(ethylamino)ethyl]azocan-2-one
CID 61386984

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[1-[(2R)-2-hydroxypropyl]piperidin-4-yl]methylamino]ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[[1-[(2R)-2-hydroxypropyl]piperidin-4-yl]methylamino]ethyl]pyrrolidin-2-one (CID 95300593) is 1-[2-[[1-[(2R)-2-hydroxypropyl]piperidin-4-yl]methylamino]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[[1-[(2R)-2-hydroxypropyl]piperidin-4-yl]methylamino]ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[[1-[(2R)-2-hydroxypropyl]piperidin-4-yl]methylamino]ethyl]pyrrolidin-2-one is C[C@@H](O)CN1CCC(CNCCN2CCCC2=O)CC1.
What is the InChIKey of 1-[2-[[1-[(2R)-2-hydroxypropyl]piperidin-4-yl]methylamino]ethyl]pyrrolidin-2-one?
The InChIKey is GQTIMYBIKRDLGO-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-13(19)12-17-8-4-14(5-9-17)11-16-6-10-18-7-2-3-15(18)20/h13-14,16,19H,2-12H2,1H3/t13-/m1/s1.
What are the key properties of 1-[2-[[1-[(2R)-2-hydroxypropyl]piperidin-4-yl]methylamino]ethyl]pyrrolidin-2-one?
1-[2-[[1-[(2R)-2-hydroxypropyl]piperidin-4-yl]methylamino]ethyl]pyrrolidin-2-one has a molecular weight of 283.42 g/mol, XLogP of 0.29, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[1-[(2R)-2-hydroxypropyl]piperidin-4-yl]methylamino]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 95300593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).