(2R)-2-(6-chloro-9H-carbazol-2-yl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one

C24H22ClN3O3 — CID 41111420

IUPAC(2R)-2-(6-chloro-9H-carbazol-2-yl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one
SMILESC[C@@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)c1ccc2c(c1)[nH]c1ccc(Cl)cc12
InChIInChI=1S/C24H22ClN3O3/c1-15(16-4-6-18-19-14-17(25)5-7-20(19)26-21(18)13-16)23(29)27-8-10-28(11-9-27)24(30)22-3-2-12-31-22/h2-7,12-15,26H,8-11H2,1H3/t15-/m1/s1
InChIKeyMJARKIUGZZPHII-OAHLLOKOSA-N
MW435.91 g/mol
LogP4.66
Rot. Bonds3

About (2R)-2-(6-chloro-9H-carbazol-2-yl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one

(2R)-2-(6-chloro-9H-carbazol-2-yl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one (PubChem CID 41111420) has the molecular formula C24H22ClN3O3 and a molecular weight of 435.91 g/mol. Its IUPAC name is (2R)-2-(6-chloro-9H-carbazol-2-yl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2R)-2-(6-chloro-9H-carbazol-2-yl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one
PubChem CID41111420
Molecular FormulaC24H22ClN3O3
Molecular Weight435.91 g/mol
Exact Mass435.13
IUPAC Name(2R)-2-(6-chloro-9H-carbazol-2-yl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one
SMILESC[C@@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)c1ccc2c(c1)[nH]c1ccc(Cl)cc12
InChIInChI=1S/C24H22ClN3O3/c1-15(16-4-6-18-19-14-17(25)5-7-20(19)26-21(18)13-16)23(29)27-8-10-28(11-9-27)24(30)22-3-2-12-31-22/h2-7,12-15,26H,8-11H2,1H3/t15-/m1/s1
InChIKeyMJARKIUGZZPHII-OAHLLOKOSA-N
XLogP4.66
TPSA69.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.91
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dichlorophenoxy)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one
CID 3158299
[4-(6-chloro-1H-indole-2-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 38908871
(1S,9S)-11-[(2S)-2-(6-chloro-9H-carbazol-2-yl)propanoyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
CID 98139812
[6-chloro-1-(2-methylpropyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(furan-2-yl)methanone
CID 71556925
1-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-2-methylpropan-1-one
CID 110796817
[4-(3,6-dichloro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 30339776
2-(2,5-dichlorophenyl)sulfanyl-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 2350113
[4-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-(furan-2-yl)methanone
CID 84579210
ethyl 4-[[(2R)-2-(6-chloro-9H-carbazol-2-yl)propanoyl]amino]piperidine-1-carboxylate
CID 41118330
furan-2-yl-[4-(3-methyl-1H-indole-2-carbonyl)piperazin-1-yl]methanone
CID 53117750
[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-(4-propan-2-ylphenyl)methanone
CID 110798012
[4-[2-(4-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 46445280

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(6-chloro-9H-carbazol-2-yl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one?
The IUPAC name of (2R)-2-(6-chloro-9H-carbazol-2-yl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one (CID 41111420) is (2R)-2-(6-chloro-9H-carbazol-2-yl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for (2R)-2-(6-chloro-9H-carbazol-2-yl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for (2R)-2-(6-chloro-9H-carbazol-2-yl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one is C[C@@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)c1ccc2c(c1)[nH]c1ccc(Cl)cc12.
What is the InChIKey of (2R)-2-(6-chloro-9H-carbazol-2-yl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one?
The InChIKey is MJARKIUGZZPHII-OAHLLOKOSA-N. The full InChI is InChI=1S/C24H22ClN3O3/c1-15(16-4-6-18-19-14-17(25)5-7-20(19)26-21(18)13-16)23(29)27-8-10-28(11-9-27)24(30)22-3-2-12-31-22/h2-7,12-15,26H,8-11H2,1H3/t15-/m1/s1.
What are the key properties of (2R)-2-(6-chloro-9H-carbazol-2-yl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one?
(2R)-2-(6-chloro-9H-carbazol-2-yl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one has a molecular weight of 435.91 g/mol, XLogP of 4.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(6-chloro-9H-carbazol-2-yl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 41111420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).