(4-chlorophenyl)-[2-[4-(furan-2-ylmethyl)piperazine-1-carbonyl]phenyl]methanone

C23H21ClN2O3 — CID 19572522

IUPAC(4-chlorophenyl)-[2-[4-(furan-2-ylmethyl)piperazine-1-carbonyl]phenyl]methanone
SMILESO=C(c1ccc(Cl)cc1)c1ccccc1C(=O)N1CCN(Cc2ccco2)CC1
InChIInChI=1S/C23H21ClN2O3/c24-18-9-7-17(8-10-18)22(27)20-5-1-2-6-21(20)23(28)26-13-11-25(12-14-26)16-19-4-3-15-29-19/h1-10,15H,11-14,16H2
InChIKeyZCPOULIXULSFRE-UHFFFAOYSA-N
MW408.89 g/mol
LogP4.12
Rot. Bonds5

About (4-chlorophenyl)-[2-[4-(furan-2-ylmethyl)piperazine-1-carbonyl]phenyl]methanone

(4-chlorophenyl)-[2-[4-(furan-2-ylmethyl)piperazine-1-carbonyl]phenyl]methanone (PubChem CID 19572522) has the molecular formula C23H21ClN2O3 and a molecular weight of 408.89 g/mol. Its IUPAC name is (4-chlorophenyl)-[2-[4-(furan-2-ylmethyl)piperazine-1-carbonyl]phenyl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[2-[4-(furan-2-ylmethyl)piperazine-1-carbonyl]phenyl]methanone
PubChem CID19572522
Molecular FormulaC23H21ClN2O3
Molecular Weight408.89 g/mol
Exact Mass408.12
IUPAC Name(4-chlorophenyl)-[2-[4-(furan-2-ylmethyl)piperazine-1-carbonyl]phenyl]methanone
SMILESO=C(c1ccc(Cl)cc1)c1ccccc1C(=O)N1CCN(Cc2ccco2)CC1
InChIInChI=1S/C23H21ClN2O3/c24-18-9-7-17(8-10-18)22(27)20-5-1-2-6-21(20)23(28)26-13-11-25(12-14-26)16-19-4-3-15-29-19/h1-10,15H,11-14,16H2
InChIKeyZCPOULIXULSFRE-UHFFFAOYSA-N
XLogP4.12
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.89
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]phenyl]-(4-methylphenyl)methanone
CID 19325537
[2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazine-1-carbonyl]phenyl]-(4-chlorophenyl)methanone
CID 19329456
[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone
CID 19515009
(5-bromofuran-3-yl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone
CID 154835228
(6-chloro-2-methylquinolin-3-yl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone
CID 46536259
N-[(4-chlorophenyl)methyl]-4-(furan-2-ylmethyl)piperazine-1-carboxamide
CID 113106373
(2-chloro-6-fluorophenyl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone
CID 17249437
(3-fluoro-4-hydroxyphenyl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone
CID 154863760
5-[4-[(4-chlorophenyl)methyl]piperazine-1-carbonyl]-2-(furan-2-ylmethyl)isoindole-1,3-dione
CID 27798954
(4-chloro-1-methylpyrrol-2-yl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone
CID 56810671
[2-[4-[(5-chlorothiophen-2-yl)methyl]piperazine-1-carbonyl]phenyl]-(4-fluorophenyl)methanone
CID 37200999
[6-(cyclopropylamino)-3-pyridinyl]-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone
CID 56818322

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[2-[4-(furan-2-ylmethyl)piperazine-1-carbonyl]phenyl]methanone?
The IUPAC name of (4-chlorophenyl)-[2-[4-(furan-2-ylmethyl)piperazine-1-carbonyl]phenyl]methanone (CID 19572522) is (4-chlorophenyl)-[2-[4-(furan-2-ylmethyl)piperazine-1-carbonyl]phenyl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[2-[4-(furan-2-ylmethyl)piperazine-1-carbonyl]phenyl]methanone?
The canonical SMILES for (4-chlorophenyl)-[2-[4-(furan-2-ylmethyl)piperazine-1-carbonyl]phenyl]methanone is O=C(c1ccc(Cl)cc1)c1ccccc1C(=O)N1CCN(Cc2ccco2)CC1.
What is the InChIKey of (4-chlorophenyl)-[2-[4-(furan-2-ylmethyl)piperazine-1-carbonyl]phenyl]methanone?
The InChIKey is ZCPOULIXULSFRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN2O3/c24-18-9-7-17(8-10-18)22(27)20-5-1-2-6-21(20)23(28)26-13-11-25(12-14-26)16-19-4-3-15-29-19/h1-10,15H,11-14,16H2.
What are the key properties of (4-chlorophenyl)-[2-[4-(furan-2-ylmethyl)piperazine-1-carbonyl]phenyl]methanone?
(4-chlorophenyl)-[2-[4-(furan-2-ylmethyl)piperazine-1-carbonyl]phenyl]methanone has a molecular weight of 408.89 g/mol, XLogP of 4.12, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[2-[4-(furan-2-ylmethyl)piperazine-1-carbonyl]phenyl]methanone is sourced from PubChem (CID 19572522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).