N-benzyl-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide

C24H23ClF3N3O2 — CID 37428901

IUPACN-benzyl-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide
SMILESO=C(C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)N(Cc1ccccc1)Cc1ccco1
InChIInChI=1S/C24H23ClF3N3O2/c25-21-13-19(24(26,27)28)14-29-22(21)30-10-8-18(9-11-30)23(32)31(16-20-7-4-12-33-20)15-17-5-2-1-3-6-17/h1-7,12-14,18H,8-11,15-16H2
InChIKeyYNZFUGVWNBOASS-UHFFFAOYSA-N
MW477.91 g/mol
LogP5.79
Rot. Bonds6

About N-benzyl-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide

N-benzyl-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 37428901) has the molecular formula C24H23ClF3N3O2 and a molecular weight of 477.91 g/mol. Its IUPAC name is N-benzyl-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide
PubChem CID37428901
Molecular FormulaC24H23ClF3N3O2
Molecular Weight477.91 g/mol
Exact Mass477.14
IUPAC NameN-benzyl-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide
SMILESO=C(C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)N(Cc1ccccc1)Cc1ccco1
InChIInChI=1S/C24H23ClF3N3O2/c25-21-13-19(24(26,27)28)14-29-22(21)30-10-8-18(9-11-30)23(32)31(16-20-7-4-12-33-20)15-17-5-2-1-3-6-17/h1-7,12-14,18H,8-11,15-16H2
InChIKeyYNZFUGVWNBOASS-UHFFFAOYSA-N
XLogP5.79
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.91
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-benzyl-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(furan-2-ylmethyl)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-benzyl-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of N-benzyl-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide (CID 37428901) is N-benzyl-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for N-benzyl-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for N-benzyl-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide is O=C(C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)N(Cc1ccccc1)Cc1ccco1.
What is the InChIKey of N-benzyl-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is YNZFUGVWNBOASS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClF3N3O2/c25-21-13-19(24(26,27)28)14-29-22(21)30-10-8-18(9-11-30)23(32)31(16-20-7-4-12-33-20)15-17-5-2-1-3-6-17/h1-7,12-14,18H,8-11,15-16H2.
What are the key properties of N-benzyl-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide?
N-benzyl-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 477.91 g/mol, XLogP of 5.79, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(furan-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 37428901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).