1-(4a,4b,8a,9a-tetrahydrocarbazol-9-yl)-2-(4-methylpiperazin-1-yl)propan-1-one

C20H27N3O — CID 10471578

IUPAC1-(4a,4b,8a,9a-tetrahydrocarbazol-9-yl)-2-(4-methylpiperazin-1-yl)propan-1-one
SMILESCC(C(=O)N1C2C=CC=CC2C2C=CC=CC21)N1CCN(C)CC1
InChIInChI=1S/C20H27N3O/c1-15(22-13-11-21(2)12-14-22)20(24)23-18-9-5-3-7-16(18)17-8-4-6-10-19(17)23/h3-10,15-19H,11-14H2,1-2H3
InChIKeyCGPKZWXGTHHGKM-UHFFFAOYSA-N
MW325.46 g/mol
LogP1.69
Rot. Bonds2

About 1-(4a,4b,8a,9a-tetrahydrocarbazol-9-yl)-2-(4-methylpiperazin-1-yl)propan-1-one

1-(4a,4b,8a,9a-tetrahydrocarbazol-9-yl)-2-(4-methylpiperazin-1-yl)propan-1-one (PubChem CID 10471578) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is 1-(4a,4b,8a,9a-tetrahydrocarbazol-9-yl)-2-(4-methylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(4a,4b,8a,9a-tetrahydrocarbazol-9-yl)-2-(4-methylpiperazin-1-yl)propan-1-one
PubChem CID10471578
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC Name1-(4a,4b,8a,9a-tetrahydrocarbazol-9-yl)-2-(4-methylpiperazin-1-yl)propan-1-one
SMILESCC(C(=O)N1C2C=CC=CC2C2C=CC=CC21)N1CCN(C)CC1
InChIInChI=1S/C20H27N3O/c1-15(22-13-11-21(2)12-14-22)20(24)23-18-9-5-3-7-16(18)17-8-4-6-10-19(17)23/h3-10,15-19H,11-14H2,1-2H3
InChIKeyCGPKZWXGTHHGKM-UHFFFAOYSA-N
XLogP1.69
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4a,4b,8a,9a-tetrahydrocarbazol-9-yl)-2-(4-methylpiperazin-1-yl)propan-1-one?
The IUPAC name of 1-(4a,4b,8a,9a-tetrahydrocarbazol-9-yl)-2-(4-methylpiperazin-1-yl)propan-1-one (CID 10471578) is 1-(4a,4b,8a,9a-tetrahydrocarbazol-9-yl)-2-(4-methylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 1-(4a,4b,8a,9a-tetrahydrocarbazol-9-yl)-2-(4-methylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 1-(4a,4b,8a,9a-tetrahydrocarbazol-9-yl)-2-(4-methylpiperazin-1-yl)propan-1-one is CC(C(=O)N1C2C=CC=CC2C2C=CC=CC21)N1CCN(C)CC1.
What is the InChIKey of 1-(4a,4b,8a,9a-tetrahydrocarbazol-9-yl)-2-(4-methylpiperazin-1-yl)propan-1-one?
The InChIKey is CGPKZWXGTHHGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-15(22-13-11-21(2)12-14-22)20(24)23-18-9-5-3-7-16(18)17-8-4-6-10-19(17)23/h3-10,15-19H,11-14H2,1-2H3.
What are the key properties of 1-(4a,4b,8a,9a-tetrahydrocarbazol-9-yl)-2-(4-methylpiperazin-1-yl)propan-1-one?
1-(4a,4b,8a,9a-tetrahydrocarbazol-9-yl)-2-(4-methylpiperazin-1-yl)propan-1-one has a molecular weight of 325.46 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4a,4b,8a,9a-tetrahydrocarbazol-9-yl)-2-(4-methylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 10471578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).