(3R)-N-[2-(1-benzylpiperidin-4-yl)ethyl]-3-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide

C27H35F3N4O — CID 162196148

IUPAC(3R)-N-[2-(1-benzylpiperidin-4-yl)ethyl]-3-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
SMILESC[C@H]1CN(c2ccc(C(F)(F)F)cn2)CCC1C(=O)NCCC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C27H35F3N4O/c1-20-18-34(25-8-7-23(17-32-25)27(28,29)30)16-12-24(20)26(35)31-13-9-21-10-14-33(15-11-21)19-22-5-3-2-4-6-22/h2-8,17,20-21,24H,9-16,18-19H2,1H3,(H,31,35)/t20-,24?/m0/s1
InChIKeyZQYPSZMHKOQOEF-QHELBMECSA-N
MW488.60 g/mol
LogP4.98
Rot. Bonds7

About (3R)-N-[2-(1-benzylpiperidin-4-yl)ethyl]-3-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide

(3R)-N-[2-(1-benzylpiperidin-4-yl)ethyl]-3-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide (PubChem CID 162196148) has the molecular formula C27H35F3N4O and a molecular weight of 488.60 g/mol. Its IUPAC name is (3R)-N-[2-(1-benzylpiperidin-4-yl)ethyl]-3-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name(3R)-N-[2-(1-benzylpiperidin-4-yl)ethyl]-3-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
PubChem CID162196148
Molecular FormulaC27H35F3N4O
Molecular Weight488.60 g/mol
Exact Mass488.28
IUPAC Name(3R)-N-[2-(1-benzylpiperidin-4-yl)ethyl]-3-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide
SMILESC[C@H]1CN(c2ccc(C(F)(F)F)cn2)CCC1C(=O)NCCC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C27H35F3N4O/c1-20-18-34(25-8-7-23(17-32-25)27(28,29)30)16-12-24(20)26(35)31-13-9-21-10-14-33(15-11-21)19-22-5-3-2-4-6-22/h2-8,17,20-21,24H,9-16,18-19H2,1H3,(H,31,35)/t20-,24?/m0/s1
InChIKeyZQYPSZMHKOQOEF-QHELBMECSA-N
XLogP4.98
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.60
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-[2-(1-benzylpiperidin-4-yl)ethyl]-3-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide?
The IUPAC name of (3R)-N-[2-(1-benzylpiperidin-4-yl)ethyl]-3-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide (CID 162196148) is (3R)-N-[2-(1-benzylpiperidin-4-yl)ethyl]-3-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide.
What is the SMILES notation for (3R)-N-[2-(1-benzylpiperidin-4-yl)ethyl]-3-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide?
The canonical SMILES for (3R)-N-[2-(1-benzylpiperidin-4-yl)ethyl]-3-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide is C[C@H]1CN(c2ccc(C(F)(F)F)cn2)CCC1C(=O)NCCC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of (3R)-N-[2-(1-benzylpiperidin-4-yl)ethyl]-3-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide?
The InChIKey is ZQYPSZMHKOQOEF-QHELBMECSA-N. The full InChI is InChI=1S/C27H35F3N4O/c1-20-18-34(25-8-7-23(17-32-25)27(28,29)30)16-12-24(20)26(35)31-13-9-21-10-14-33(15-11-21)19-22-5-3-2-4-6-22/h2-8,17,20-21,24H,9-16,18-19H2,1H3,(H,31,35)/t20-,24?/m0/s1.
What are the key properties of (3R)-N-[2-(1-benzylpiperidin-4-yl)ethyl]-3-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide?
(3R)-N-[2-(1-benzylpiperidin-4-yl)ethyl]-3-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide has a molecular weight of 488.60 g/mol, XLogP of 4.98, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[2-(1-benzylpiperidin-4-yl)ethyl]-3-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxamide is sourced from PubChem (CID 162196148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).