N-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide

C26H30FN3O — CID 46381968

IUPACN-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide
SMILESO=C(NCC1CCN(Cc2cccc(F)c2)CC1)C1CCCc2c1[nH]c1ccccc21
InChIInChI=1S/C26H30FN3O/c27-20-6-3-5-19(15-20)17-30-13-11-18(12-14-30)16-28-26(31)23-9-4-8-22-21-7-1-2-10-24(21)29-25(22)23/h1-3,5-7,10,15,18,23,29H,4,8-9,11-14,16-17H2,(H,28,31)
InChIKeyKGFUCOOWQYOJMA-UHFFFAOYSA-N
MW419.54 g/mol
LogP4.76
Rot. Bonds5

About N-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide

N-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide (PubChem CID 46381968) has the molecular formula C26H30FN3O and a molecular weight of 419.54 g/mol. Its IUPAC name is N-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide.

Molecular Properties

Compound NameN-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide
PubChem CID46381968
Molecular FormulaC26H30FN3O
Molecular Weight419.54 g/mol
Exact Mass419.24
IUPAC NameN-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide
SMILESO=C(NCC1CCN(Cc2cccc(F)c2)CC1)C1CCCc2c1[nH]c1ccccc21
InChIInChI=1S/C26H30FN3O/c27-20-6-3-5-19(15-20)17-30-13-11-18(12-14-30)16-28-26(31)23-9-4-8-22-21-7-1-2-10-24(21)29-25(22)23/h1-3,5-7,10,15,18,23,29H,4,8-9,11-14,16-17H2,(H,28,31)
InChIKeyKGFUCOOWQYOJMA-UHFFFAOYSA-N
XLogP4.76
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.54
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide with MolForge

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Related Compounds

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CID 46964182
N-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]-2-methylpropan-2-amine
CID 62593105
N-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]propan-1-amine
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ethyl 4-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methylamino]quinazoline-2-carboxylate
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N-benzyl-4-[(3-fluorophenyl)methyl]piperazine-1-carboxamide
CID 155292939
(3R)-N-cyclopropyl-1-[1-[(3-fluorophenyl)methyl]piperidin-4-yl]piperidine-3-carboxamide
CID 29085751
3-(3-fluorophenyl)-N-[[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]methyl]propanamide
CID 60599829
1-(1-benzylpiperidin-4-yl)-4-[(3-fluorophenyl)methyl]piperazine
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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide?
The IUPAC name of N-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide (CID 46381968) is N-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide.
What is the SMILES notation for N-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide?
The canonical SMILES for N-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide is O=C(NCC1CCN(Cc2cccc(F)c2)CC1)C1CCCc2c1[nH]c1ccccc21.
What is the InChIKey of N-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide?
The InChIKey is KGFUCOOWQYOJMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN3O/c27-20-6-3-5-19(15-20)17-30-13-11-18(12-14-30)16-28-26(31)23-9-4-8-22-21-7-1-2-10-24(21)29-25(22)23/h1-3,5-7,10,15,18,23,29H,4,8-9,11-14,16-17H2,(H,28,31).
What are the key properties of N-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide?
N-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide has a molecular weight of 419.54 g/mol, XLogP of 4.76, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3-fluorophenyl)methyl]piperidin-4-yl]methyl]-2,3,4,9-tetrahydro-1H-carbazole-1-carboxamide is sourced from PubChem (CID 46381968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).