[9-(3-methoxypropyl)carbazol-3-yl]-piperidin-1-ylmethanone

C22H26N2O2 — CID 56651354

IUPAC[9-(3-methoxypropyl)carbazol-3-yl]-piperidin-1-ylmethanone
SMILESCOCCCn1c2ccccc2c2cc(C(=O)N3CCCCC3)ccc21
InChIInChI=1S/C22H26N2O2/c1-26-15-7-14-24-20-9-4-3-8-18(20)19-16-17(10-11-21(19)24)22(25)23-12-5-2-6-13-23/h3-4,8-11,16H,2,5-7,12-15H2,1H3
InChIKeyDVTOQMKFJZNXIT-UHFFFAOYSA-N
MW350.46 g/mol
LogP4.46
Rot. Bonds5

About [9-(3-methoxypropyl)carbazol-3-yl]-piperidin-1-ylmethanone

[9-(3-methoxypropyl)carbazol-3-yl]-piperidin-1-ylmethanone (PubChem CID 56651354) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is [9-(3-methoxypropyl)carbazol-3-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[9-(3-methoxypropyl)carbazol-3-yl]-piperidin-1-ylmethanone
PubChem CID56651354
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name[9-(3-methoxypropyl)carbazol-3-yl]-piperidin-1-ylmethanone
SMILESCOCCCn1c2ccccc2c2cc(C(=O)N3CCCCC3)ccc21
InChIInChI=1S/C22H26N2O2/c1-26-15-7-14-24-20-9-4-3-8-18(20)19-16-17(10-11-21(19)24)22(25)23-12-5-2-6-13-23/h3-4,8-11,16H,2,5-7,12-15H2,1H3
InChIKeyDVTOQMKFJZNXIT-UHFFFAOYSA-N
XLogP4.46
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 54.46
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 [9-(3-methoxypropyl)carbazol-3-yl]-piperidin-1-ylmethanone?
The IUPAC name of [9-(3-methoxypropyl)carbazol-3-yl]-piperidin-1-ylmethanone (CID 56651354) is [9-(3-methoxypropyl)carbazol-3-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [9-(3-methoxypropyl)carbazol-3-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [9-(3-methoxypropyl)carbazol-3-yl]-piperidin-1-ylmethanone is COCCCn1c2ccccc2c2cc(C(=O)N3CCCCC3)ccc21.
What is the InChIKey of [9-(3-methoxypropyl)carbazol-3-yl]-piperidin-1-ylmethanone?
The InChIKey is DVTOQMKFJZNXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-26-15-7-14-24-20-9-4-3-8-18(20)19-16-17(10-11-21(19)24)22(25)23-12-5-2-6-13-23/h3-4,8-11,16H,2,5-7,12-15H2,1H3.
What are the key properties of [9-(3-methoxypropyl)carbazol-3-yl]-piperidin-1-ylmethanone?
[9-(3-methoxypropyl)carbazol-3-yl]-piperidin-1-ylmethanone has a molecular weight of 350.46 g/mol, XLogP of 4.46, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [9-(3-methoxypropyl)carbazol-3-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 56651354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).