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

C19H24N8O — CID 99962130

IUPAC[(2R)-2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-[5-(tetrazol-1-yl)-1H-pyrazol-4-yl]methanone
SMILESCN(C)Cc1ccc([C@H]2CCCCN2C(=O)c2cn[nH]c2-n2cnnn2)cc1
InChIInChI=1S/C19H24N8O/c1-25(2)12-14-6-8-15(9-7-14)17-5-3-4-10-26(17)19(28)16-11-20-22-18(16)27-13-21-23-24-27/h6-9,11,13,17H,3-5,10,12H2,1-2H3,(H,20,22)/t17-/m1/s1
InChIKeyBYTVKLAPTRKYCY-QGZVFWFLSA-N
MW380.46 g/mol
LogP1.81
Rot. Bonds5

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

[(2R)-2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-[5-(tetrazol-1-yl)-1H-pyrazol-4-yl]methanone (PubChem CID 99962130) has the molecular formula C19H24N8O and a molecular weight of 380.46 g/mol. Its IUPAC name is [(2R)-2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-[5-(tetrazol-1-yl)-1H-pyrazol-4-yl]methanone.

Molecular Properties

Compound Name[(2R)-2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-[5-(tetrazol-1-yl)-1H-pyrazol-4-yl]methanone
PubChem CID99962130
Molecular FormulaC19H24N8O
Molecular Weight380.46 g/mol
Exact Mass380.21
IUPAC Name[(2R)-2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-[5-(tetrazol-1-yl)-1H-pyrazol-4-yl]methanone
SMILESCN(C)Cc1ccc([C@H]2CCCCN2C(=O)c2cn[nH]c2-n2cnnn2)cc1
InChIInChI=1S/C19H24N8O/c1-25(2)12-14-6-8-15(9-7-14)17-5-3-4-10-26(17)19(28)16-11-20-22-18(16)27-13-21-23-24-27/h6-9,11,13,17H,3-5,10,12H2,1-2H3,(H,20,22)/t17-/m1/s1
InChIKeyBYTVKLAPTRKYCY-QGZVFWFLSA-N
XLogP1.81
TPSA95.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.46
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

[(2S)-2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-(2-ethylpyrimidin-5-yl)methanone
CID 97190267
[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-(2,4-dimethylpyrimidin-5-yl)methanone
CID 70764712
[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 70706627
[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-[5-(tetrazol-1-yl)-1H-pyrazol-4-yl]methanone
CID 95867712
N-(1-methylpiperidin-4-yl)-N-(pyridin-4-ylmethyl)-5-(tetrazol-1-yl)-1H-pyrazole-4-carboxamide
CID 56902109
[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-thiophen-3-ylmethanone
CID 70709336
[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-(7-methylpyrazolo[1,5-a]pyrimidin-6-yl)methanone
CID 118763717
4-[2-[4-[(dimethylamino)methyl]phenyl]pyrrolidine-1-carbonyl]-2,3-dihydroinden-1-one
CID 131894796
(4-chloro-1-methylpyrazol-5-yl)-[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]methanone
CID 70769553
(3-cyclopropylimidazo[4,5-b]pyridin-6-yl)-[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]methanone
CID 176500830
4-[2-[4-[(dimethylamino)methyl]phenyl]piperidine-1-carbonyl]-1-methylpyridin-2-one
CID 70719498
(4-chloro-1H-pyrrol-2-yl)-[(2R)-2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]methanone
CID 126436777

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-[5-(tetrazol-1-yl)-1H-pyrazol-4-yl]methanone?
The IUPAC name of [(2R)-2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-[5-(tetrazol-1-yl)-1H-pyrazol-4-yl]methanone (CID 99962130) is [(2R)-2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-[5-(tetrazol-1-yl)-1H-pyrazol-4-yl]methanone.
What is the SMILES notation for [(2R)-2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-[5-(tetrazol-1-yl)-1H-pyrazol-4-yl]methanone?
The canonical SMILES for [(2R)-2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-[5-(tetrazol-1-yl)-1H-pyrazol-4-yl]methanone is CN(C)Cc1ccc([C@H]2CCCCN2C(=O)c2cn[nH]c2-n2cnnn2)cc1.
What is the InChIKey of [(2R)-2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-[5-(tetrazol-1-yl)-1H-pyrazol-4-yl]methanone?
The InChIKey is BYTVKLAPTRKYCY-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H24N8O/c1-25(2)12-14-6-8-15(9-7-14)17-5-3-4-10-26(17)19(28)16-11-20-22-18(16)27-13-21-23-24-27/h6-9,11,13,17H,3-5,10,12H2,1-2H3,(H,20,22)/t17-/m1/s1.
What are the key properties of [(2R)-2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-[5-(tetrazol-1-yl)-1H-pyrazol-4-yl]methanone?
[(2R)-2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-[5-(tetrazol-1-yl)-1H-pyrazol-4-yl]methanone has a molecular weight of 380.46 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-[5-(tetrazol-1-yl)-1H-pyrazol-4-yl]methanone is sourced from PubChem (CID 99962130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).