[(3R)-3-[methyl(2-phenylethyl)amino]piperidin-1-yl]-[4-(tetrazol-1-ylmethyl)phenyl]methanone

C23H28N6O — CID 25306950

IUPAC[(3R)-3-[methyl(2-phenylethyl)amino]piperidin-1-yl]-[4-(tetrazol-1-ylmethyl)phenyl]methanone
SMILESCN(CCc1ccccc1)[C@@H]1CCCN(C(=O)c2ccc(Cn3cnnn3)cc2)C1
InChIInChI=1S/C23H28N6O/c1-27(15-13-19-6-3-2-4-7-19)22-8-5-14-28(17-22)23(30)21-11-9-20(10-12-21)16-29-18-24-25-26-29/h2-4,6-7,9-12,18,22H,5,8,13-17H2,1H3/t22-/m1/s1
InChIKeyFRMANVAKSKGRGR-JOCHJYFZSA-N
MW404.52 g/mol
LogP2.50
Rot. Bonds7

About [(3R)-3-[methyl(2-phenylethyl)amino]piperidin-1-yl]-[4-(tetrazol-1-ylmethyl)phenyl]methanone

[(3R)-3-[methyl(2-phenylethyl)amino]piperidin-1-yl]-[4-(tetrazol-1-ylmethyl)phenyl]methanone (PubChem CID 25306950) has the molecular formula C23H28N6O and a molecular weight of 404.52 g/mol. Its IUPAC name is [(3R)-3-[methyl(2-phenylethyl)amino]piperidin-1-yl]-[4-(tetrazol-1-ylmethyl)phenyl]methanone.

Molecular Properties

Compound Name[(3R)-3-[methyl(2-phenylethyl)amino]piperidin-1-yl]-[4-(tetrazol-1-ylmethyl)phenyl]methanone
PubChem CID25306950
Molecular FormulaC23H28N6O
Molecular Weight404.52 g/mol
Exact Mass404.23
IUPAC Name[(3R)-3-[methyl(2-phenylethyl)amino]piperidin-1-yl]-[4-(tetrazol-1-ylmethyl)phenyl]methanone
SMILESCN(CCc1ccccc1)[C@@H]1CCCN(C(=O)c2ccc(Cn3cnnn3)cc2)C1
InChIInChI=1S/C23H28N6O/c1-27(15-13-19-6-3-2-4-7-19)22-8-5-14-28(17-22)23(30)21-11-9-20(10-12-21)16-29-18-24-25-26-29/h2-4,6-7,9-12,18,22H,5,8,13-17H2,1H3/t22-/m1/s1
InChIKeyFRMANVAKSKGRGR-JOCHJYFZSA-N
XLogP2.50
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.52
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(3R)-3-[methyl(2-phenylethyl)amino]piperidin-1-yl]-[4-(tetrazol-1-ylmethyl)phenyl]methanone with MolForge

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Related Compounds

[(3R)-3-[methyl(2-phenylethyl)amino]piperidin-1-yl]-(1-oxidopyridin-1-ium-3-yl)methanone
CID 25455767
2-methyl-6-[3-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]pyridazin-3-one
CID 56705502
1-[3-[methyl(2-phenylethyl)amino]piperidin-1-yl]-2-methylsulfanylethanone
CID 45175382
isoquinolin-1-yl-[(3S)-3-[methyl(2-phenylethyl)amino]piperidin-1-yl]methanone
CID 25296938
[3-[benzyl(methyl)amino]piperidin-1-yl]-(1-benzylpyrazol-4-yl)methanone
CID 45220798
[4-(4-hydroxyphenyl)phenyl]-[4-[methyl(2-phenylethyl)amino]piperidin-1-yl]methanone
CID 23284910
(3-cyclobutyl-3-hydroxy-4-methylpyrrolidin-1-yl)-[4-(tetrazol-1-ylmethyl)phenyl]methanone
CID 78083993
N-[5-[(3S)-3-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide
CID 95713956
1-[3-[methyl(2-phenylethyl)amino]piperidin-1-yl]-2-pyrimidin-2-ylsulfanylethanone
CID 45202124
N-[[(1S,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-N-methyl-4-(tetrazol-1-ylmethyl)benzamide
CID 129490785
[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]-[4-(tetrazol-1-ylmethyl)phenyl]methanone
CID 95199255
1-[3,5-dimethyl-4-[3-[methyl(2-phenylethyl)amino]piperidine-1-carbonyl]-1H-pyrrol-2-yl]ethanone
CID 45199506

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[methyl(2-phenylethyl)amino]piperidin-1-yl]-[4-(tetrazol-1-ylmethyl)phenyl]methanone?
The IUPAC name of [(3R)-3-[methyl(2-phenylethyl)amino]piperidin-1-yl]-[4-(tetrazol-1-ylmethyl)phenyl]methanone (CID 25306950) is [(3R)-3-[methyl(2-phenylethyl)amino]piperidin-1-yl]-[4-(tetrazol-1-ylmethyl)phenyl]methanone.
What is the SMILES notation for [(3R)-3-[methyl(2-phenylethyl)amino]piperidin-1-yl]-[4-(tetrazol-1-ylmethyl)phenyl]methanone?
The canonical SMILES for [(3R)-3-[methyl(2-phenylethyl)amino]piperidin-1-yl]-[4-(tetrazol-1-ylmethyl)phenyl]methanone is CN(CCc1ccccc1)[C@@H]1CCCN(C(=O)c2ccc(Cn3cnnn3)cc2)C1.
What is the InChIKey of [(3R)-3-[methyl(2-phenylethyl)amino]piperidin-1-yl]-[4-(tetrazol-1-ylmethyl)phenyl]methanone?
The InChIKey is FRMANVAKSKGRGR-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H28N6O/c1-27(15-13-19-6-3-2-4-7-19)22-8-5-14-28(17-22)23(30)21-11-9-20(10-12-21)16-29-18-24-25-26-29/h2-4,6-7,9-12,18,22H,5,8,13-17H2,1H3/t22-/m1/s1.
What are the key properties of [(3R)-3-[methyl(2-phenylethyl)amino]piperidin-1-yl]-[4-(tetrazol-1-ylmethyl)phenyl]methanone?
[(3R)-3-[methyl(2-phenylethyl)amino]piperidin-1-yl]-[4-(tetrazol-1-ylmethyl)phenyl]methanone has a molecular weight of 404.52 g/mol, XLogP of 2.50, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[methyl(2-phenylethyl)amino]piperidin-1-yl]-[4-(tetrazol-1-ylmethyl)phenyl]methanone is sourced from PubChem (CID 25306950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).