(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-[4-(furan-2-carbonyl)piperazin-1-yl]methanone

C22H22ClN3O3 — CID 652786

IUPAC(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
SMILESO=C(c1ccco1)N1CCN(C(=O)C2CCCc3c2[nH]c2ccc(Cl)cc32)CC1
InChIInChI=1S/C22H22ClN3O3/c23-14-6-7-18-17(13-14)15-3-1-4-16(20(15)24-18)21(27)25-8-10-26(11-9-25)22(28)19-5-2-12-29-19/h2,5-7,12-13,16,24H,1,3-4,8-11H2
InChIKeyFRSZNZNJHSDBGI-UHFFFAOYSA-N
MW411.89 g/mol
LogP3.82
Rot. Bonds2

About (6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-[4-(furan-2-carbonyl)piperazin-1-yl]methanone

(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-[4-(furan-2-carbonyl)piperazin-1-yl]methanone (PubChem CID 652786) has the molecular formula C22H22ClN3O3 and a molecular weight of 411.89 g/mol. Its IUPAC name is (6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-[4-(furan-2-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
PubChem CID652786
Molecular FormulaC22H22ClN3O3
Molecular Weight411.89 g/mol
Exact Mass411.13
IUPAC Name(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
SMILESO=C(c1ccco1)N1CCN(C(=O)C2CCCc3c2[nH]c2ccc(Cl)cc32)CC1
InChIInChI=1S/C22H22ClN3O3/c23-14-6-7-18-17(13-14)15-3-1-4-16(20(15)24-18)21(27)25-8-10-26(11-9-25)22(28)19-5-2-12-29-19/h2,5-7,12-13,16,24H,1,3-4,8-11H2
InChIKeyFRSZNZNJHSDBGI-UHFFFAOYSA-N
XLogP3.82
TPSA69.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.89
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-[4-(furan-2-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of (6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-[4-(furan-2-carbonyl)piperazin-1-yl]methanone (CID 652786) is (6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-[4-(furan-2-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for (6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-[4-(furan-2-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for (6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-[4-(furan-2-carbonyl)piperazin-1-yl]methanone is O=C(c1ccco1)N1CCN(C(=O)C2CCCc3c2[nH]c2ccc(Cl)cc32)CC1.
What is the InChIKey of (6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-[4-(furan-2-carbonyl)piperazin-1-yl]methanone?
The InChIKey is FRSZNZNJHSDBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O3/c23-14-6-7-18-17(13-14)15-3-1-4-16(20(15)24-18)21(27)25-8-10-26(11-9-25)22(28)19-5-2-12-29-19/h2,5-7,12-13,16,24H,1,3-4,8-11H2.
What are the key properties of (6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-[4-(furan-2-carbonyl)piperazin-1-yl]methanone?
(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-[4-(furan-2-carbonyl)piperazin-1-yl]methanone has a molecular weight of 411.89 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)-[4-(furan-2-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 652786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).