1-phenyl-4-[5-(1-piperidin-1-ylethyl)furan-2-carbonyl]piperazin-2-one

C22H27N3O3 — CID 70784599

IUPAC1-phenyl-4-[5-(1-piperidin-1-ylethyl)furan-2-carbonyl]piperazin-2-one
SMILESCC(c1ccc(C(=O)N2CCN(c3ccccc3)C(=O)C2)o1)N1CCCCC1
InChIInChI=1S/C22H27N3O3/c1-17(23-12-6-3-7-13-23)19-10-11-20(28-19)22(27)24-14-15-25(21(26)16-24)18-8-4-2-5-9-18/h2,4-5,8-11,17H,3,6-7,12-16H2,1H3
InChIKeyKCDREWKBZJZURC-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.32
Rot. Bonds4

About 1-phenyl-4-[5-(1-piperidin-1-ylethyl)furan-2-carbonyl]piperazin-2-one

1-phenyl-4-[5-(1-piperidin-1-ylethyl)furan-2-carbonyl]piperazin-2-one (PubChem CID 70784599) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 1-phenyl-4-[5-(1-piperidin-1-ylethyl)furan-2-carbonyl]piperazin-2-one.

Molecular Properties

Compound Name1-phenyl-4-[5-(1-piperidin-1-ylethyl)furan-2-carbonyl]piperazin-2-one
PubChem CID70784599
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name1-phenyl-4-[5-(1-piperidin-1-ylethyl)furan-2-carbonyl]piperazin-2-one
SMILESCC(c1ccc(C(=O)N2CCN(c3ccccc3)C(=O)C2)o1)N1CCCCC1
InChIInChI=1S/C22H27N3O3/c1-17(23-12-6-3-7-13-23)19-10-11-20(28-19)22(27)24-14-15-25(21(26)16-24)18-8-4-2-5-9-18/h2,4-5,8-11,17H,3,6-7,12-16H2,1H3
InChIKeyKCDREWKBZJZURC-UHFFFAOYSA-N
XLogP3.32
TPSA57.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-phenyl-4-[(4R)-4-piperidin-1-ylpentanoyl]piperazin-2-one
CID 96578207
4-[2-(azepan-1-yl)propanoyl]-1-(4-methylphenyl)piperazin-2-one
CID 70776563
4-[(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanoyl]-1-phenylpiperazin-2-one
CID 96574547
4-(2-ethylbutanoyl)-1-phenylpiperazin-2-one
CID 70710183
4-(2,6-difluoro-3-methylbenzoyl)-1-phenylpiperazin-2-one
CID 70755852
5-[1-(1,4-thiazepan-4-yl)ethyl]furan-2-carboxylic acid
CID 79083657
4-[(3S)-1-(2-methylpropyl)-5-oxopyrrolidine-3-carbonyl]-1-phenylpiperazin-2-one
CID 96574415
N-[4-methyl-1-oxo-1-(3-oxo-4-phenylpiperazin-1-yl)pentan-2-yl]acetamide
CID 78087226
1-(3-chlorophenyl)-4-(7-methyl-1-benzofuran-2-carbonyl)piperazin-2-one
CID 70785542
(5-bromofuran-2-yl)-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]methanone
CID 42949339
3-[2-oxo-2-(3-oxo-4-phenylpiperazin-1-yl)ethyl]imidazolidine-2,4-dione
CID 70776360
5-[1-(3-hydroxypiperidin-1-yl)ethyl]furan-2-carboxylic acid
CID 79083924

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-[5-(1-piperidin-1-ylethyl)furan-2-carbonyl]piperazin-2-one?
The IUPAC name of 1-phenyl-4-[5-(1-piperidin-1-ylethyl)furan-2-carbonyl]piperazin-2-one (CID 70784599) is 1-phenyl-4-[5-(1-piperidin-1-ylethyl)furan-2-carbonyl]piperazin-2-one.
What is the SMILES notation for 1-phenyl-4-[5-(1-piperidin-1-ylethyl)furan-2-carbonyl]piperazin-2-one?
The canonical SMILES for 1-phenyl-4-[5-(1-piperidin-1-ylethyl)furan-2-carbonyl]piperazin-2-one is CC(c1ccc(C(=O)N2CCN(c3ccccc3)C(=O)C2)o1)N1CCCCC1.
What is the InChIKey of 1-phenyl-4-[5-(1-piperidin-1-ylethyl)furan-2-carbonyl]piperazin-2-one?
The InChIKey is KCDREWKBZJZURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-17(23-12-6-3-7-13-23)19-10-11-20(28-19)22(27)24-14-15-25(21(26)16-24)18-8-4-2-5-9-18/h2,4-5,8-11,17H,3,6-7,12-16H2,1H3.
What are the key properties of 1-phenyl-4-[5-(1-piperidin-1-ylethyl)furan-2-carbonyl]piperazin-2-one?
1-phenyl-4-[5-(1-piperidin-1-ylethyl)furan-2-carbonyl]piperazin-2-one has a molecular weight of 381.48 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-[5-(1-piperidin-1-ylethyl)furan-2-carbonyl]piperazin-2-one is sourced from PubChem (CID 70784599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).