(9-butylcarbazol-3-yl)-piperidin-1-ylmethanone

C22H26N2O — CID 73354105

IUPAC(9-butylcarbazol-3-yl)-piperidin-1-ylmethanone
SMILESCCCCn1c2ccccc2c2cc(C(=O)N3CCCCC3)ccc21
InChIInChI=1S/C22H26N2O/c1-2-3-15-24-20-10-6-5-9-18(20)19-16-17(11-12-21(19)24)22(25)23-13-7-4-8-14-23/h5-6,9-12,16H,2-4,7-8,13-15H2,1H3
InChIKeyWGERETUYZPYUKK-UHFFFAOYSA-N
MW334.46 g/mol
LogP5.22
Rot. Bonds4

About (9-butylcarbazol-3-yl)-piperidin-1-ylmethanone

(9-butylcarbazol-3-yl)-piperidin-1-ylmethanone (PubChem CID 73354105) has the molecular formula C22H26N2O and a molecular weight of 334.46 g/mol. Its IUPAC name is (9-butylcarbazol-3-yl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(9-butylcarbazol-3-yl)-piperidin-1-ylmethanone
PubChem CID73354105
Molecular FormulaC22H26N2O
Molecular Weight334.46 g/mol
Exact Mass334.20
IUPAC Name(9-butylcarbazol-3-yl)-piperidin-1-ylmethanone
SMILESCCCCn1c2ccccc2c2cc(C(=O)N3CCCCC3)ccc21
InChIInChI=1S/C22H26N2O/c1-2-3-15-24-20-10-6-5-9-18(20)19-16-17(11-12-21(19)24)22(25)23-13-7-4-8-14-23/h5-6,9-12,16H,2-4,7-8,13-15H2,1H3
InChIKeyWGERETUYZPYUKK-UHFFFAOYSA-N
XLogP5.22
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.46
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (9-butylcarbazol-3-yl)-piperidin-1-ylmethanone?
The IUPAC name of (9-butylcarbazol-3-yl)-piperidin-1-ylmethanone (CID 73354105) is (9-butylcarbazol-3-yl)-piperidin-1-ylmethanone.
What is the SMILES notation for (9-butylcarbazol-3-yl)-piperidin-1-ylmethanone?
The canonical SMILES for (9-butylcarbazol-3-yl)-piperidin-1-ylmethanone is CCCCn1c2ccccc2c2cc(C(=O)N3CCCCC3)ccc21.
What is the InChIKey of (9-butylcarbazol-3-yl)-piperidin-1-ylmethanone?
The InChIKey is WGERETUYZPYUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O/c1-2-3-15-24-20-10-6-5-9-18(20)19-16-17(11-12-21(19)24)22(25)23-13-7-4-8-14-23/h5-6,9-12,16H,2-4,7-8,13-15H2,1H3.
What are the key properties of (9-butylcarbazol-3-yl)-piperidin-1-ylmethanone?
(9-butylcarbazol-3-yl)-piperidin-1-ylmethanone has a molecular weight of 334.46 g/mol, XLogP of 5.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (9-butylcarbazol-3-yl)-piperidin-1-ylmethanone is sourced from PubChem (CID 73354105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).