(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

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Related Compounds

N-[(2-methylpyrimidin-4-yl)methyl]-2-(2-phenylethyl)morpholine-4-carboxamide
CID 75477456
2-methyl-N-[(2-methylpyrimidin-4-yl)methyl]piperidine-1-carboxamide
CID 47328498
(3R)-3-(2-methyl-1,3-dioxolan-2-yl)-N-[(2-methylpyrimidin-4-yl)methyl]piperidine-1-carboxamide
CID 124616039
3-methyl-1-[(2-methylpyrimidin-4-yl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 63136472
2-methyl-3-[(2-methylpyrimidin-4-yl)methylcarbamoyl]-1,3-thiazolidine-4-carboxylic acid
CID 63780826
1-[(2-methylpyrimidin-4-yl)methyl]-3-(4-phenylcyclohexyl)urea
CID 126768193
3-methyl-1-[(2-methylpyrimidin-4-yl)methylcarbamoyl]piperidine-2-carboxylic acid
CID 107071555
2-(2-hydroxy-2-phenylethyl)-N-[(2-methylpyrimidin-4-yl)methyl]pyrrolidine-1-carboxamide
CID 71868512
methyl N-[3-[(3R,4R)-3-ethyl-4-phenylpiperidin-1-yl]-3-oxopropyl]carbamate
CID 95935159
4-benzyl-N'-methyl-N-[(2-methylpyrimidin-4-yl)methyl]piperidine-1-carboximidamide
CID 119130170
1-(3-ethyl-4-phenylpiperidin-1-yl)-2-(2-methoxyethylamino)ethanone
CID 119817687
3-amino-1-(3-ethyl-4-phenylpiperidin-1-yl)butan-1-one
CID 119817681

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).