(3R,4R)-3-ethyl-N-[(2-methylpyrimidin-4-yl)methyl]-4-phenylpiperidine-1-carboxamide

C20H26N4O — CID 95968998

IUPAC(3R,4R)-3-ethyl-N-[(2-methylpyrimidin-4-yl)methyl]-4-phenylpiperidine-1-carboxamide
SMILESCC[C@H]1CN(C(=O)NCc2ccnc(C)n2)CC[C@H]1c1ccccc1
InChIInChI=1S/C20H26N4O/c1-3-16-14-24(12-10-19(16)17-7-5-4-6-8-17)20(25)22-13-18-9-11-21-15(2)23-18/h4-9,11,16,19H,3,10,12-14H2,1-2H3,(H,22,25)/t16-,19+/m0/s1
InChIKeyLTMLBFSYBURMIJ-QFBILLFUSA-N
MW338.46 g/mol
LogP3.51
Rot. Bonds4

About (3R,4R)-3-ethyl-N-[(2-methylpyrimidin-4-yl)methyl]-4-phenylpiperidine-1-carboxamide

(3R,4R)-3-ethyl-N-[(2-methylpyrimidin-4-yl)methyl]-4-phenylpiperidine-1-carboxamide (PubChem CID 95968998) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is (3R,4R)-3-ethyl-N-[(2-methylpyrimidin-4-yl)methyl]-4-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound Name(3R,4R)-3-ethyl-N-[(2-methylpyrimidin-4-yl)methyl]-4-phenylpiperidine-1-carboxamide
PubChem CID95968998
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC Name(3R,4R)-3-ethyl-N-[(2-methylpyrimidin-4-yl)methyl]-4-phenylpiperidine-1-carboxamide
SMILESCC[C@H]1CN(C(=O)NCc2ccnc(C)n2)CC[C@H]1c1ccccc1
InChIInChI=1S/C20H26N4O/c1-3-16-14-24(12-10-19(16)17-7-5-4-6-8-17)20(25)22-13-18-9-11-21-15(2)23-18/h4-9,11,16,19H,3,10,12-14H2,1-2H3,(H,22,25)/t16-,19+/m0/s1
InChIKeyLTMLBFSYBURMIJ-QFBILLFUSA-N
XLogP3.51
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3R,4R)-3-ethyl-N-[(2-methylpyrimidin-4-yl)methyl]-4-phenylpiperidine-1-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 (3R,4R)-3-ethyl-N-[(2-methylpyrimidin-4-yl)methyl]-4-phenylpiperidine-1-carboxamide?
The IUPAC name of (3R,4R)-3-ethyl-N-[(2-methylpyrimidin-4-yl)methyl]-4-phenylpiperidine-1-carboxamide (CID 95968998) is (3R,4R)-3-ethyl-N-[(2-methylpyrimidin-4-yl)methyl]-4-phenylpiperidine-1-carboxamide.
What is the SMILES notation for (3R,4R)-3-ethyl-N-[(2-methylpyrimidin-4-yl)methyl]-4-phenylpiperidine-1-carboxamide?
The canonical SMILES for (3R,4R)-3-ethyl-N-[(2-methylpyrimidin-4-yl)methyl]-4-phenylpiperidine-1-carboxamide is CC[C@H]1CN(C(=O)NCc2ccnc(C)n2)CC[C@H]1c1ccccc1.
What is the InChIKey of (3R,4R)-3-ethyl-N-[(2-methylpyrimidin-4-yl)methyl]-4-phenylpiperidine-1-carboxamide?
The InChIKey is LTMLBFSYBURMIJ-QFBILLFUSA-N. The full InChI is InChI=1S/C20H26N4O/c1-3-16-14-24(12-10-19(16)17-7-5-4-6-8-17)20(25)22-13-18-9-11-21-15(2)23-18/h4-9,11,16,19H,3,10,12-14H2,1-2H3,(H,22,25)/t16-,19+/m0/s1.
What are the key properties of (3R,4R)-3-ethyl-N-[(2-methylpyrimidin-4-yl)methyl]-4-phenylpiperidine-1-carboxamide?
(3R,4R)-3-ethyl-N-[(2-methylpyrimidin-4-yl)methyl]-4-phenylpiperidine-1-carboxamide has a molecular weight of 338.46 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-3-ethyl-N-[(2-methylpyrimidin-4-yl)methyl]-4-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 95968998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).