1-[1-[[4-(trifluoromethyl)phenyl]carbamoyl]piperidin-4-yl]-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole-8-carboxamide

C25H26F3N5O2 — CID 154513888

IUPAC1-[1-[[4-(trifluoromethyl)phenyl]carbamoyl]piperidin-4-yl]-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole-8-carboxamide
SMILESNC(=O)c1ccc2[nH]c3c(c2c1)C(C1CCN(C(=O)Nc2ccc(C(F)(F)F)cc2)CC1)NCC3
InChIInChI=1S/C25H26F3N5O2/c26-25(27,28)16-2-4-17(5-3-16)31-24(35)33-11-8-14(9-12-33)22-21-18-13-15(23(29)34)1-6-19(18)32-20(21)7-10-30-22/h1-6,13-14,22,30,32H,7-12H2,(H2,29,34)(H,31,35)
InChIKeyZKAMGGLGKDIJQY-UHFFFAOYSA-N
MW485.51 g/mol
LogP4.42
Rot. Bonds3

About 1-[1-[[4-(trifluoromethyl)phenyl]carbamoyl]piperidin-4-yl]-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole-8-carboxamide

1-[1-[[4-(trifluoromethyl)phenyl]carbamoyl]piperidin-4-yl]-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole-8-carboxamide (PubChem CID 154513888) has the molecular formula C25H26F3N5O2 and a molecular weight of 485.51 g/mol. Its IUPAC name is 1-[1-[[4-(trifluoromethyl)phenyl]carbamoyl]piperidin-4-yl]-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole-8-carboxamide.

Molecular Properties

Compound Name1-[1-[[4-(trifluoromethyl)phenyl]carbamoyl]piperidin-4-yl]-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole-8-carboxamide
PubChem CID154513888
Molecular FormulaC25H26F3N5O2
Molecular Weight485.51 g/mol
Exact Mass485.20
IUPAC Name1-[1-[[4-(trifluoromethyl)phenyl]carbamoyl]piperidin-4-yl]-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole-8-carboxamide
SMILESNC(=O)c1ccc2[nH]c3c(c2c1)C(C1CCN(C(=O)Nc2ccc(C(F)(F)F)cc2)CC1)NCC3
InChIInChI=1S/C25H26F3N5O2/c26-25(27,28)16-2-4-17(5-3-16)31-24(35)33-11-8-14(9-12-33)22-21-18-13-15(23(29)34)1-6-19(18)32-20(21)7-10-30-22/h1-6,13-14,22,30,32H,7-12H2,(H2,29,34)(H,31,35)
InChIKeyZKAMGGLGKDIJQY-UHFFFAOYSA-N
XLogP4.42
TPSA103.25 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.51
LogP ≤ 54.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

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4-hydroxy-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
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CID 11318648
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CID 162579733
4-[1-[[4-(trifluoromethyl)phenyl]carbamoyl]piperidin-3-yl]oxypyridine-2-carboxamide
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ethyl 6-[1-[[4-(trifluoromethyl)phenyl]carbamoyl]piperidin-4-yl]pyridine-3-carboxylate
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Frequently Asked Questions

What is the IUPAC name of 1-[1-[[4-(trifluoromethyl)phenyl]carbamoyl]piperidin-4-yl]-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole-8-carboxamide?
The IUPAC name of 1-[1-[[4-(trifluoromethyl)phenyl]carbamoyl]piperidin-4-yl]-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole-8-carboxamide (CID 154513888) is 1-[1-[[4-(trifluoromethyl)phenyl]carbamoyl]piperidin-4-yl]-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole-8-carboxamide.
What is the SMILES notation for 1-[1-[[4-(trifluoromethyl)phenyl]carbamoyl]piperidin-4-yl]-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole-8-carboxamide?
The canonical SMILES for 1-[1-[[4-(trifluoromethyl)phenyl]carbamoyl]piperidin-4-yl]-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole-8-carboxamide is NC(=O)c1ccc2[nH]c3c(c2c1)C(C1CCN(C(=O)Nc2ccc(C(F)(F)F)cc2)CC1)NCC3.
What is the InChIKey of 1-[1-[[4-(trifluoromethyl)phenyl]carbamoyl]piperidin-4-yl]-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole-8-carboxamide?
The InChIKey is ZKAMGGLGKDIJQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F3N5O2/c26-25(27,28)16-2-4-17(5-3-16)31-24(35)33-11-8-14(9-12-33)22-21-18-13-15(23(29)34)1-6-19(18)32-20(21)7-10-30-22/h1-6,13-14,22,30,32H,7-12H2,(H2,29,34)(H,31,35).
What are the key properties of 1-[1-[[4-(trifluoromethyl)phenyl]carbamoyl]piperidin-4-yl]-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole-8-carboxamide?
1-[1-[[4-(trifluoromethyl)phenyl]carbamoyl]piperidin-4-yl]-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole-8-carboxamide has a molecular weight of 485.51 g/mol, XLogP of 4.42, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[4-(trifluoromethyl)phenyl]carbamoyl]piperidin-4-yl]-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole-8-carboxamide is sourced from PubChem (CID 154513888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).