N-tert-butyl-2-[4-(9-pentylcarbazole-3-carbonyl)piperazin-1-yl]acetamide

C28H38N4O2 — CID 130297023

IUPACN-tert-butyl-2-[4-(9-pentylcarbazole-3-carbonyl)piperazin-1-yl]acetamide
SMILESCCCCCn1c2ccccc2c2cc(C(=O)N3CCN(CC(=O)NC(C)(C)C)CC3)ccc21
InChIInChI=1S/C28H38N4O2/c1-5-6-9-14-32-24-11-8-7-10-22(24)23-19-21(12-13-25(23)32)27(34)31-17-15-30(16-18-31)20-26(33)29-28(2,3)4/h7-8,10-13,19H,5-6,9,14-18,20H2,1-4H3,(H,29,33)
InChIKeyFMORTUFVSUFCHK-UHFFFAOYSA-N
MW462.64 g/mol
LogP4.66
Rot. Bonds7

About N-tert-butyl-2-[4-(9-pentylcarbazole-3-carbonyl)piperazin-1-yl]acetamide

N-tert-butyl-2-[4-(9-pentylcarbazole-3-carbonyl)piperazin-1-yl]acetamide (PubChem CID 130297023) has the molecular formula C28H38N4O2 and a molecular weight of 462.64 g/mol. Its IUPAC name is N-tert-butyl-2-[4-(9-pentylcarbazole-3-carbonyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[4-(9-pentylcarbazole-3-carbonyl)piperazin-1-yl]acetamide
PubChem CID130297023
Molecular FormulaC28H38N4O2
Molecular Weight462.64 g/mol
Exact Mass462.30
IUPAC NameN-tert-butyl-2-[4-(9-pentylcarbazole-3-carbonyl)piperazin-1-yl]acetamide
SMILESCCCCCn1c2ccccc2c2cc(C(=O)N3CCN(CC(=O)NC(C)(C)C)CC3)ccc21
InChIInChI=1S/C28H38N4O2/c1-5-6-9-14-32-24-11-8-7-10-22(24)23-19-21(12-13-25(23)32)27(34)31-17-15-30(16-18-31)20-26(33)29-28(2,3)4/h7-8,10-13,19H,5-6,9,14-18,20H2,1-4H3,(H,29,33)
InChIKeyFMORTUFVSUFCHK-UHFFFAOYSA-N
XLogP4.66
TPSA57.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.64
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(9-pentylcarbazol-3-yl)-2-piperidin-1-ylethanone
CID 73348033
N-tert-butyl-2-[4-(naphthalene-2-carbonyl)-1,4-diazepan-1-yl]acetamide
CID 9078759
(9-pentylcarbazol-3-yl)-phenylmethanone
CID 56651356
5-butyl-2-(piperidine-1-carbonyl)phenanthridin-6-one
CID 90682883
N-tert-butyl-2-[4-[4-chloro-3-(methylsulfamoyl)benzoyl]piperazin-1-yl]acetamide
CID 24641891
[4-[2-(3-fluorophenyl)ethyl]piperazin-1-yl]-[9-[3-(4-methylpiperazin-1-yl)propyl]carbazol-3-yl]methanone
CID 118666931
2-(9-hexylcarbazole-3-carbonyl)benzoic acid
CID 135031219
2-(4-benzoylpiperazin-1-yl)-N-pentylacetamide
CID 8597427
N-tert-butyl-2-[4-(3,5-dimethoxy-4-phenylmethoxybenzoyl)piperazin-1-yl]acetamide
CID 24547474
[9-[3-(4-methylpiperazin-1-yl)propyl]carbazol-2-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 118666905
1,4-bis(9-butylcarbazol-3-yl)-2,3-dihydroxybutane-1,4-dione
CID 19982347
[9-[3-(diethylamino)propyl]carbazol-2-yl]-[4-(2-phenylethyl)piperazin-1-yl]methanone
CID 118666925

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[4-(9-pentylcarbazole-3-carbonyl)piperazin-1-yl]acetamide?
The IUPAC name of N-tert-butyl-2-[4-(9-pentylcarbazole-3-carbonyl)piperazin-1-yl]acetamide (CID 130297023) is N-tert-butyl-2-[4-(9-pentylcarbazole-3-carbonyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-tert-butyl-2-[4-(9-pentylcarbazole-3-carbonyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-tert-butyl-2-[4-(9-pentylcarbazole-3-carbonyl)piperazin-1-yl]acetamide is CCCCCn1c2ccccc2c2cc(C(=O)N3CCN(CC(=O)NC(C)(C)C)CC3)ccc21.
What is the InChIKey of N-tert-butyl-2-[4-(9-pentylcarbazole-3-carbonyl)piperazin-1-yl]acetamide?
The InChIKey is FMORTUFVSUFCHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N4O2/c1-5-6-9-14-32-24-11-8-7-10-22(24)23-19-21(12-13-25(23)32)27(34)31-17-15-30(16-18-31)20-26(33)29-28(2,3)4/h7-8,10-13,19H,5-6,9,14-18,20H2,1-4H3,(H,29,33).
What are the key properties of N-tert-butyl-2-[4-(9-pentylcarbazole-3-carbonyl)piperazin-1-yl]acetamide?
N-tert-butyl-2-[4-(9-pentylcarbazole-3-carbonyl)piperazin-1-yl]acetamide has a molecular weight of 462.64 g/mol, XLogP of 4.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[4-(9-pentylcarbazole-3-carbonyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 130297023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).