[(3R)-3-(dimethylamino)piperidin-1-yl]-[4-[4-(2H-tetrazol-5-yl)phenyl]phenyl]methanone

C21H24N6O — CID 126424546

IUPAC[(3R)-3-(dimethylamino)piperidin-1-yl]-[4-[4-(2H-tetrazol-5-yl)phenyl]phenyl]methanone
SMILESCN(C)[C@@H]1CCCN(C(=O)c2ccc(-c3ccc(-c4nn[nH]n4)cc3)cc2)C1
InChIInChI=1S/C21H24N6O/c1-26(2)19-4-3-13-27(14-19)21(28)18-11-7-16(8-12-18)15-5-9-17(10-6-15)20-22-24-25-23-20/h5-12,19H,3-4,13-14H2,1-2H3,(H,22,23,24,25)/t19-/m1/s1
InChIKeyMOIISTBYSDKSSB-LJQANCHMSA-N
MW376.46 g/mol
LogP2.70
Rot. Bonds4

About [(3R)-3-(dimethylamino)piperidin-1-yl]-[4-[4-(2H-tetrazol-5-yl)phenyl]phenyl]methanone

[(3R)-3-(dimethylamino)piperidin-1-yl]-[4-[4-(2H-tetrazol-5-yl)phenyl]phenyl]methanone (PubChem CID 126424546) has the molecular formula C21H24N6O and a molecular weight of 376.46 g/mol. Its IUPAC name is [(3R)-3-(dimethylamino)piperidin-1-yl]-[4-[4-(2H-tetrazol-5-yl)phenyl]phenyl]methanone.

Molecular Properties

Compound Name[(3R)-3-(dimethylamino)piperidin-1-yl]-[4-[4-(2H-tetrazol-5-yl)phenyl]phenyl]methanone
PubChem CID126424546
Molecular FormulaC21H24N6O
Molecular Weight376.46 g/mol
Exact Mass376.20
IUPAC Name[(3R)-3-(dimethylamino)piperidin-1-yl]-[4-[4-(2H-tetrazol-5-yl)phenyl]phenyl]methanone
SMILESCN(C)[C@@H]1CCCN(C(=O)c2ccc(-c3ccc(-c4nn[nH]n4)cc3)cc2)C1
InChIInChI=1S/C21H24N6O/c1-26(2)19-4-3-13-27(14-19)21(28)18-11-7-16(8-12-18)15-5-9-17(10-6-15)20-22-24-25-23-20/h5-12,19H,3-4,13-14H2,1-2H3,(H,22,23,24,25)/t19-/m1/s1
InChIKeyMOIISTBYSDKSSB-LJQANCHMSA-N
XLogP2.70
TPSA78.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(3R)-3-(dimethylamino)piperidin-1-yl]-[4-[4-(2H-tetrazol-5-yl)phenyl]phenyl]methanone with MolForge

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Related Compounds

[4-(4-chlorophenyl)phenyl]-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 126426652
[4-(4-aminoquinolin-6-yl)phenyl]-[3-(dimethylamino)piperidin-1-yl]methanone
CID 122572045
[(3S)-3-(dimethylamino)azepan-1-yl]-[4-(1H-1,2,4-triazol-5-yl)phenyl]methanone
CID 70752814
(3-hydroxy-3-methylpiperidin-1-yl)-[4-(2H-tetrazol-5-yl)phenyl]methanone
CID 115874457
[3-(dimethylamino)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 141277119
4-[3-(dimethylamino)pyrrolidine-1-carbonyl]benzoic acid
CID 63175136
morpholin-4-yl-[4-(2H-tetrazol-5-yl)phenyl]methanone
CID 32686320
[3-(dimethylamino)piperidin-1-yl]-(1H-pyrazol-4-yl)methanone
CID 63616448
(2-chloro-4-pyridinyl)-[3-(dimethylamino)piperidin-1-yl]methanone
CID 63091284
(2-bromo-4-pyridinyl)-[3-(dimethylamino)piperidin-1-yl]methanone
CID 103752700
(3-hydroxy-3-methylpyrrolidin-1-yl)-[4-(2H-tetrazol-5-yl)phenyl]methanone
CID 103745670
(4-tert-butylphenyl)-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 121450401

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(dimethylamino)piperidin-1-yl]-[4-[4-(2H-tetrazol-5-yl)phenyl]phenyl]methanone?
The IUPAC name of [(3R)-3-(dimethylamino)piperidin-1-yl]-[4-[4-(2H-tetrazol-5-yl)phenyl]phenyl]methanone (CID 126424546) is [(3R)-3-(dimethylamino)piperidin-1-yl]-[4-[4-(2H-tetrazol-5-yl)phenyl]phenyl]methanone.
What is the SMILES notation for [(3R)-3-(dimethylamino)piperidin-1-yl]-[4-[4-(2H-tetrazol-5-yl)phenyl]phenyl]methanone?
The canonical SMILES for [(3R)-3-(dimethylamino)piperidin-1-yl]-[4-[4-(2H-tetrazol-5-yl)phenyl]phenyl]methanone is CN(C)[C@@H]1CCCN(C(=O)c2ccc(-c3ccc(-c4nn[nH]n4)cc3)cc2)C1.
What is the InChIKey of [(3R)-3-(dimethylamino)piperidin-1-yl]-[4-[4-(2H-tetrazol-5-yl)phenyl]phenyl]methanone?
The InChIKey is MOIISTBYSDKSSB-LJQANCHMSA-N. The full InChI is InChI=1S/C21H24N6O/c1-26(2)19-4-3-13-27(14-19)21(28)18-11-7-16(8-12-18)15-5-9-17(10-6-15)20-22-24-25-23-20/h5-12,19H,3-4,13-14H2,1-2H3,(H,22,23,24,25)/t19-/m1/s1.
What are the key properties of [(3R)-3-(dimethylamino)piperidin-1-yl]-[4-[4-(2H-tetrazol-5-yl)phenyl]phenyl]methanone?
[(3R)-3-(dimethylamino)piperidin-1-yl]-[4-[4-(2H-tetrazol-5-yl)phenyl]phenyl]methanone has a molecular weight of 376.46 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(dimethylamino)piperidin-1-yl]-[4-[4-(2H-tetrazol-5-yl)phenyl]phenyl]methanone is sourced from PubChem (CID 126424546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).