(1S)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide

C26H31FN4O — CID 92881244

IUPAC(1S)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide
SMILESO=C(NCCCN1CCN(c2ccccc2F)CC1)[C@H]1CCCc2c1[nH]c1ccccc21
InChIInChI=1S/C26H31FN4O/c27-22-10-2-4-12-24(22)31-17-15-30(16-18-31)14-6-13-28-26(32)21-9-5-8-20-19-7-1-3-11-23(19)29-25(20)21/h1-4,7,10-12,21,29H,5-6,8-9,13-18H2,(H,28,32)/t21-/m0/s1
InChIKeyNCDJRTOXHXNGQU-NRFANRHFSA-N
MW434.56 g/mol
LogP4.06
Rot. Bonds6

About (1S)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide

(1S)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide (PubChem CID 92881244) has the molecular formula C26H31FN4O and a molecular weight of 434.56 g/mol. Its IUPAC name is (1S)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide.

Molecular Properties

Compound Name(1S)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide
PubChem CID92881244
Molecular FormulaC26H31FN4O
Molecular Weight434.56 g/mol
Exact Mass434.25
IUPAC Name(1S)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide
SMILESO=C(NCCCN1CCN(c2ccccc2F)CC1)[C@H]1CCCc2c1[nH]c1ccccc21
InChIInChI=1S/C26H31FN4O/c27-22-10-2-4-12-24(22)31-17-15-30(16-18-31)14-6-13-28-26(32)21-9-5-8-20-19-7-1-3-11-23(19)29-25(20)21/h1-4,7,10-12,21,29H,5-6,8-9,13-18H2,(H,28,32)/t21-/m0/s1
InChIKeyNCDJRTOXHXNGQU-NRFANRHFSA-N
XLogP4.06
TPSA51.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.56
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide
CID 131911526
1-cyclopentyl-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-5-oxopyrrolidine-2-carboxamide
CID 5307425
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-N'-propan-2-yloxamide
CID 42390042
N'-tert-butyl-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]oxamide
CID 42390044
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2H-triazole-4-carboxamide
CID 56784364
N-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide
CID 46381968
2-(fluoromethyl)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]azetidine-1-carboxamide
CID 166307882
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-1-(6-methyl-1H-benzimidazol-2-yl)piperidine-3-carboxamide
CID 46359288
N'-(2,6-dimethylphenyl)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]oxamide
CID 42390054
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-3,4,5-trimethoxybenzamide
CID 42224164
N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide
CID 131914265
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-6-[(2S)-2-methylpiperidin-1-yl]sulfonyl-2-oxo-1H-quinoline-4-carboxamide
CID 98339895

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide?
The IUPAC name of (1S)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide (CID 92881244) is (1S)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide.
What is the SMILES notation for (1S)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide?
The canonical SMILES for (1S)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide is O=C(NCCCN1CCN(c2ccccc2F)CC1)[C@H]1CCCc2c1[nH]c1ccccc21.
What is the InChIKey of (1S)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide?
The InChIKey is NCDJRTOXHXNGQU-NRFANRHFSA-N. The full InChI is InChI=1S/C26H31FN4O/c27-22-10-2-4-12-24(22)31-17-15-30(16-18-31)14-6-13-28-26(32)21-9-5-8-20-19-7-1-3-11-23(19)29-25(20)21/h1-4,7,10-12,21,29H,5-6,8-9,13-18H2,(H,28,32)/t21-/m0/s1.
What are the key properties of (1S)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide?
(1S)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide has a molecular weight of 434.56 g/mol, XLogP of 4.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide is sourced from PubChem (CID 92881244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).