(4-methylpiperazin-1-yl)-(9-pentylcarbazol-3-yl)methanone

C23H29N3O — CID 56650679

IUPAC(4-methylpiperazin-1-yl)-(9-pentylcarbazol-3-yl)methanone
SMILESCCCCCn1c2ccccc2c2cc(C(=O)N3CCN(C)CC3)ccc21
InChIInChI=1S/C23H29N3O/c1-3-4-7-12-26-21-9-6-5-8-19(21)20-17-18(10-11-22(20)26)23(27)25-15-13-24(2)14-16-25/h5-6,8-11,17H,3-4,7,12-16H2,1-2H3
InChIKeyJTSCTLNYUWJURQ-UHFFFAOYSA-N
MW363.51 g/mol
LogP4.37
Rot. Bonds5

About (4-methylpiperazin-1-yl)-(9-pentylcarbazol-3-yl)methanone

(4-methylpiperazin-1-yl)-(9-pentylcarbazol-3-yl)methanone (PubChem CID 56650679) has the molecular formula C23H29N3O and a molecular weight of 363.51 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-(9-pentylcarbazol-3-yl)methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-(9-pentylcarbazol-3-yl)methanone
PubChem CID56650679
Molecular FormulaC23H29N3O
Molecular Weight363.51 g/mol
Exact Mass363.23
IUPAC Name(4-methylpiperazin-1-yl)-(9-pentylcarbazol-3-yl)methanone
SMILESCCCCCn1c2ccccc2c2cc(C(=O)N3CCN(C)CC3)ccc21
InChIInChI=1S/C23H29N3O/c1-3-4-7-12-26-21-9-6-5-8-19(21)20-17-18(10-11-22(20)26)23(27)25-15-13-24(2)14-16-25/h5-6,8-11,17H,3-4,7,12-16H2,1-2H3
InChIKeyJTSCTLNYUWJURQ-UHFFFAOYSA-N
XLogP4.37
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-(9-pentylcarbazol-3-yl)methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-(9-pentylcarbazol-3-yl)methanone (CID 56650679) is (4-methylpiperazin-1-yl)-(9-pentylcarbazol-3-yl)methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-(9-pentylcarbazol-3-yl)methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-(9-pentylcarbazol-3-yl)methanone is CCCCCn1c2ccccc2c2cc(C(=O)N3CCN(C)CC3)ccc21.
What is the InChIKey of (4-methylpiperazin-1-yl)-(9-pentylcarbazol-3-yl)methanone?
The InChIKey is JTSCTLNYUWJURQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O/c1-3-4-7-12-26-21-9-6-5-8-19(21)20-17-18(10-11-22(20)26)23(27)25-15-13-24(2)14-16-25/h5-6,8-11,17H,3-4,7,12-16H2,1-2H3.
What are the key properties of (4-methylpiperazin-1-yl)-(9-pentylcarbazol-3-yl)methanone?
(4-methylpiperazin-1-yl)-(9-pentylcarbazol-3-yl)methanone has a molecular weight of 363.51 g/mol, XLogP of 4.37, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-(9-pentylcarbazol-3-yl)methanone is sourced from PubChem (CID 56650679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).