N-[2-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]ethyl]-1-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide

C29H35F3N4O2 — CID 129105368

IUPACN-[2-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]ethyl]-1-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide
SMILESO=C(NCCC1CCN(Cc2ccc3[nH]ccc3c2)CC1)C1CCN(c2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C29H35F3N4O2/c30-29(31,32)38-26-4-2-25(3-5-26)36-17-11-23(12-18-36)28(37)34-13-7-21-9-15-35(16-10-21)20-22-1-6-27-24(19-22)8-14-33-27/h1-6,8,14,19,21,23,33H,7,9-13,15-18,20H2,(H,34,37)
InChIKeySWKMFTOCJPOJDW-UHFFFAOYSA-N
MW528.62 g/mol
LogP5.70
Rot. Bonds8

About N-[2-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]ethyl]-1-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide

N-[2-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]ethyl]-1-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide (PubChem CID 129105368) has the molecular formula C29H35F3N4O2 and a molecular weight of 528.62 g/mol. Its IUPAC name is N-[2-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]ethyl]-1-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]ethyl]-1-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide
PubChem CID129105368
Molecular FormulaC29H35F3N4O2
Molecular Weight528.62 g/mol
Exact Mass528.27
IUPAC NameN-[2-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]ethyl]-1-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide
SMILESO=C(NCCC1CCN(Cc2ccc3[nH]ccc3c2)CC1)C1CCN(c2ccc(OC(F)(F)F)cc2)CC1
InChIInChI=1S/C29H35F3N4O2/c30-29(31,32)38-26-4-2-25(3-5-26)36-17-11-23(12-18-36)28(37)34-13-7-21-9-15-35(16-10-21)20-22-1-6-27-24(19-22)8-14-33-27/h1-6,8,14,19,21,23,33H,7,9-13,15-18,20H2,(H,34,37)
InChIKeySWKMFTOCJPOJDW-UHFFFAOYSA-N
XLogP5.70
TPSA60.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.62
LogP ≤ 55.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze N-[2-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]ethyl]-1-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]ethyl]-1-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide?
The IUPAC name of N-[2-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]ethyl]-1-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide (CID 129105368) is N-[2-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]ethyl]-1-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[2-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]ethyl]-1-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide?
The canonical SMILES for N-[2-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]ethyl]-1-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide is O=C(NCCC1CCN(Cc2ccc3[nH]ccc3c2)CC1)C1CCN(c2ccc(OC(F)(F)F)cc2)CC1.
What is the InChIKey of N-[2-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]ethyl]-1-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide?
The InChIKey is SWKMFTOCJPOJDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35F3N4O2/c30-29(31,32)38-26-4-2-25(3-5-26)36-17-11-23(12-18-36)28(37)34-13-7-21-9-15-35(16-10-21)20-22-1-6-27-24(19-22)8-14-33-27/h1-6,8,14,19,21,23,33H,7,9-13,15-18,20H2,(H,34,37).
What are the key properties of N-[2-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]ethyl]-1-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide?
N-[2-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]ethyl]-1-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide has a molecular weight of 528.62 g/mol, XLogP of 5.70, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(1H-indol-5-ylmethyl)piperidin-4-yl]ethyl]-1-[4-(trifluoromethoxy)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 129105368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).