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

C22H31N3O3 — CID 70772143

IUPAC1-[2-[1-(2-morpholin-4-ylbenzoyl)piperidin-2-yl]ethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCC1CCCCN1C(=O)c1ccccc1N1CCOCC1
InChIInChI=1S/C22H31N3O3/c26-21-9-5-11-24(21)13-10-18-6-3-4-12-25(18)22(27)19-7-1-2-8-20(19)23-14-16-28-17-15-23/h1-2,7-8,18H,3-6,9-17H2
InChIKeyXNDQWHDDHFIYED-UHFFFAOYSA-N
MW385.51 g/mol
LogP2.53
Rot. Bonds5

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

1-[2-[1-(2-morpholin-4-ylbenzoyl)piperidin-2-yl]ethyl]pyrrolidin-2-one (PubChem CID 70772143) has the molecular formula C22H31N3O3 and a molecular weight of 385.51 g/mol. Its IUPAC name is 1-[2-[1-(2-morpholin-4-ylbenzoyl)piperidin-2-yl]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[1-(2-morpholin-4-ylbenzoyl)piperidin-2-yl]ethyl]pyrrolidin-2-one
PubChem CID70772143
Molecular FormulaC22H31N3O3
Molecular Weight385.51 g/mol
Exact Mass385.24
IUPAC Name1-[2-[1-(2-morpholin-4-ylbenzoyl)piperidin-2-yl]ethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCC1CCCCN1C(=O)c1ccccc1N1CCOCC1
InChIInChI=1S/C22H31N3O3/c26-21-9-5-11-24(21)13-10-18-6-3-4-12-25(18)22(27)19-7-1-2-8-20(19)23-14-16-28-17-15-23/h1-2,7-8,18H,3-6,9-17H2
InChIKeyXNDQWHDDHFIYED-UHFFFAOYSA-N
XLogP2.53
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(2R)-1-(2-ethoxybenzoyl)piperidin-2-yl]ethyl]pyrrolidin-2-one
CID 96574158
[2-(2-morpholin-4-ylethyl)piperidin-1-yl]-[2-(1,2,4-triazol-4-yl)phenyl]methanone
CID 118787843
1-[2-[(2S)-1-[2-(2,3-dihydro-1H-inden-2-yl)acetyl]piperidin-2-yl]ethyl]pyrrolidin-2-one
CID 124842042
[(2R)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]-[2-(1,2,4-triazol-1-yl)phenyl]methanone
CID 97137037
[(2S)-2-(2-morpholin-4-ylethyl)piperidin-1-yl]-[2-(1,2,4-triazol-1-yl)phenyl]methanone
CID 97137038
1-[2-[1-(3-chloro-1H-indole-2-carbonyl)piperidin-2-yl]ethyl]pyrrolidin-2-one
CID 72840028
1-[2-[1-(2-fluoro-6-methoxybenzoyl)piperidin-2-yl]ethyl]pyrrolidin-2-one
CID 70741060
[2-(2-morpholin-4-ylethyl)piperidin-1-yl]-phenylmethanone;hydrochloride
CID 20994934
1-[2-[(2S)-1-(5-methyl-1,3-oxazole-4-carbonyl)piperidin-2-yl]ethyl]pyrrolidin-2-one
CID 97041667
1-[2-[1-(7-fluoro-3-methyl-1-benzofuran-2-carbonyl)piperidin-2-yl]ethyl]pyrrolidin-2-one
CID 24793266
[2-(1H-imidazol-2-yl)phenyl]-[2-(2-morpholin-4-ylethyl)piperidin-1-yl]methanone
CID 70756590
[2-(2-chloroethyl)piperidin-1-yl]-(2-chlorophenyl)methanone
CID 63394055

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(2-morpholin-4-ylbenzoyl)piperidin-2-yl]ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[1-(2-morpholin-4-ylbenzoyl)piperidin-2-yl]ethyl]pyrrolidin-2-one (CID 70772143) is 1-[2-[1-(2-morpholin-4-ylbenzoyl)piperidin-2-yl]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[1-(2-morpholin-4-ylbenzoyl)piperidin-2-yl]ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[1-(2-morpholin-4-ylbenzoyl)piperidin-2-yl]ethyl]pyrrolidin-2-one is O=C1CCCN1CCC1CCCCN1C(=O)c1ccccc1N1CCOCC1.
What is the InChIKey of 1-[2-[1-(2-morpholin-4-ylbenzoyl)piperidin-2-yl]ethyl]pyrrolidin-2-one?
The InChIKey is XNDQWHDDHFIYED-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O3/c26-21-9-5-11-24(21)13-10-18-6-3-4-12-25(18)22(27)19-7-1-2-8-20(19)23-14-16-28-17-15-23/h1-2,7-8,18H,3-6,9-17H2.
What are the key properties of 1-[2-[1-(2-morpholin-4-ylbenzoyl)piperidin-2-yl]ethyl]pyrrolidin-2-one?
1-[2-[1-(2-morpholin-4-ylbenzoyl)piperidin-2-yl]ethyl]pyrrolidin-2-one has a molecular weight of 385.51 g/mol, XLogP of 2.53, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(2-morpholin-4-ylbenzoyl)piperidin-2-yl]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 70772143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).