1-[3-[(3R)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-3-oxopropyl]pyrrolidin-2-one

C19H31N5O2 — CID 97187760

IUPAC1-[3-[(3R)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-3-oxopropyl]pyrrolidin-2-one
SMILESCN(C)CCn1ccnc1[C@@H]1CCCN(C(=O)CCN2CCCC2=O)C1
InChIInChI=1S/C19H31N5O2/c1-21(2)13-14-23-12-8-20-19(23)16-5-3-10-24(15-16)18(26)7-11-22-9-4-6-17(22)25/h8,12,16H,3-7,9-11,13-15H2,1-2H3/t16-/m1/s1
InChIKeyKJYOILUDMNMXHT-MRXNPFEDSA-N
MW361.49 g/mol
LogP1.16
Rot. Bonds7

About 1-[3-[(3R)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-3-oxopropyl]pyrrolidin-2-one

1-[3-[(3R)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-3-oxopropyl]pyrrolidin-2-one (PubChem CID 97187760) has the molecular formula C19H31N5O2 and a molecular weight of 361.49 g/mol. Its IUPAC name is 1-[3-[(3R)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-3-oxopropyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[(3R)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-3-oxopropyl]pyrrolidin-2-one
PubChem CID97187760
Molecular FormulaC19H31N5O2
Molecular Weight361.49 g/mol
Exact Mass361.25
IUPAC Name1-[3-[(3R)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-3-oxopropyl]pyrrolidin-2-one
SMILESCN(C)CCn1ccnc1[C@@H]1CCCN(C(=O)CCN2CCCC2=O)C1
InChIInChI=1S/C19H31N5O2/c1-21(2)13-14-23-12-8-20-19(23)16-5-3-10-24(15-16)18(26)7-11-22-9-4-6-17(22)25/h8,12,16H,3-7,9-11,13-15H2,1-2H3/t16-/m1/s1
InChIKeyKJYOILUDMNMXHT-MRXNPFEDSA-N
XLogP1.16
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[(3S)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 97275691
1-[2-[(3R)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-2-oxoethyl]azepan-2-one
CID 97272208
1-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 72839228
1-[(3S)-3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-3-methylbutan-1-one
CID 97274758
1-[3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidin-1-yl]-3-methylbutan-1-one
CID 72874438
1-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-2-(2,3,4-trifluorophenyl)ethanone
CID 72857287
1-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 72895055
1-[(3S)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-2-[methyl(pyridin-3-ylmethyl)amino]ethanone
CID 97275304
[(3S)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 97198762
1-[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
CID 72864710
1-[(3R)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-2-(5-fluoro-2-methylphenyl)ethanone
CID 97268736
[3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-(5-methyl-1,3-oxazol-4-yl)methanone
CID 72850501

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3R)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-3-oxopropyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[(3R)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-3-oxopropyl]pyrrolidin-2-one (CID 97187760) is 1-[3-[(3R)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-3-oxopropyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[(3R)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-3-oxopropyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[(3R)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-3-oxopropyl]pyrrolidin-2-one is CN(C)CCn1ccnc1[C@@H]1CCCN(C(=O)CCN2CCCC2=O)C1.
What is the InChIKey of 1-[3-[(3R)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-3-oxopropyl]pyrrolidin-2-one?
The InChIKey is KJYOILUDMNMXHT-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H31N5O2/c1-21(2)13-14-23-12-8-20-19(23)16-5-3-10-24(15-16)18(26)7-11-22-9-4-6-17(22)25/h8,12,16H,3-7,9-11,13-15H2,1-2H3/t16-/m1/s1.
What are the key properties of 1-[3-[(3R)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-3-oxopropyl]pyrrolidin-2-one?
1-[3-[(3R)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-3-oxopropyl]pyrrolidin-2-one has a molecular weight of 361.49 g/mol, XLogP of 1.16, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3R)-3-[1-[2-(dimethylamino)ethyl]imidazol-2-yl]piperidin-1-yl]-3-oxopropyl]pyrrolidin-2-one is sourced from PubChem (CID 97187760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).