[(3S)-3-[4-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]-[2-hydroxy-4-(tetrazol-1-yl)phenyl]methanone

C19H26N6O3 — CID 95729380

IUPAC[(3S)-3-[4-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]-[2-hydroxy-4-(tetrazol-1-yl)phenyl]methanone
SMILESO=C(c1ccc(-n2cnnn2)cc1O)N1CCC[C@H](N2CCC(CO)CC2)C1
InChIInChI=1S/C19H26N6O3/c26-12-14-5-8-23(9-6-14)16-2-1-7-24(11-16)19(28)17-4-3-15(10-18(17)27)25-13-20-21-22-25/h3-4,10,13-14,16,26-27H,1-2,5-9,11-12H2/t16-/m0/s1
InChIKeyBIFXBEWTXLEGLA-INIZCTEOSA-N
MW386.46 g/mol
LogP0.68
Rot. Bonds4

About [(3S)-3-[4-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]-[2-hydroxy-4-(tetrazol-1-yl)phenyl]methanone

[(3S)-3-[4-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]-[2-hydroxy-4-(tetrazol-1-yl)phenyl]methanone (PubChem CID 95729380) has the molecular formula C19H26N6O3 and a molecular weight of 386.46 g/mol. Its IUPAC name is [(3S)-3-[4-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]-[2-hydroxy-4-(tetrazol-1-yl)phenyl]methanone.

Molecular Properties

Compound Name[(3S)-3-[4-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]-[2-hydroxy-4-(tetrazol-1-yl)phenyl]methanone
PubChem CID95729380
Molecular FormulaC19H26N6O3
Molecular Weight386.46 g/mol
Exact Mass386.21
IUPAC Name[(3S)-3-[4-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]-[2-hydroxy-4-(tetrazol-1-yl)phenyl]methanone
SMILESO=C(c1ccc(-n2cnnn2)cc1O)N1CCC[C@H](N2CCC(CO)CC2)C1
InChIInChI=1S/C19H26N6O3/c26-12-14-5-8-23(9-6-14)16-2-1-7-24(11-16)19(28)17-4-3-15(10-18(17)27)25-13-20-21-22-25/h3-4,10,13-14,16,26-27H,1-2,5-9,11-12H2/t16-/m0/s1
InChIKeyBIFXBEWTXLEGLA-INIZCTEOSA-N
XLogP0.68
TPSA107.61 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [(3S)-3-[4-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]-[2-hydroxy-4-(tetrazol-1-yl)phenyl]methanone with MolForge

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Related Compounds

[3-(1-ethylimidazol-2-yl)piperidin-1-yl]-[2-hydroxy-4-(tetrazol-1-yl)phenyl]methanone
CID 70738101
(3R)-1-[2-chloro-4-(tetrazol-1-yl)benzoyl]piperidine-3-carboxylic acid
CID 129381235
1-[2-chloro-4-(tetrazol-1-yl)benzoyl]piperidine-3-carboxylic acid
CID 126770633
2-hydroxy-4-(tetrazol-1-yl)benzoic acid
CID 855909
[(3S,4S)-3-hydroxy-4-piperidin-1-ylpyrrolidin-1-yl]-[2-hydroxy-5-(tetrazol-1-yl)phenyl]methanone
CID 91797211
(2,4-dihydroxyphenyl)-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 43422462
[3-[4-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]-(3-phenylphenyl)methanone
CID 45210373
(3-hydroxypiperidin-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone
CID 110881986
[3-[4-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]-[4-(2-methylpropyl)phenyl]methanone
CID 56885612
(1R,2S,8S,9S)-11-[2-hydroxy-4-(tetrazol-1-yl)benzoyl]-8-propyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
CID 163312845
(4-cyclopentylpiperazin-1-yl)-[3-(tetrazol-1-yl)phenyl]methanone
CID 128927605
(3S)-1-[4-(tetrazol-1-yl)benzoyl]piperidine-3-carboxylic acid
CID 119113545

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[4-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]-[2-hydroxy-4-(tetrazol-1-yl)phenyl]methanone?
The IUPAC name of [(3S)-3-[4-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]-[2-hydroxy-4-(tetrazol-1-yl)phenyl]methanone (CID 95729380) is [(3S)-3-[4-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]-[2-hydroxy-4-(tetrazol-1-yl)phenyl]methanone.
What is the SMILES notation for [(3S)-3-[4-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]-[2-hydroxy-4-(tetrazol-1-yl)phenyl]methanone?
The canonical SMILES for [(3S)-3-[4-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]-[2-hydroxy-4-(tetrazol-1-yl)phenyl]methanone is O=C(c1ccc(-n2cnnn2)cc1O)N1CCC[C@H](N2CCC(CO)CC2)C1.
What is the InChIKey of [(3S)-3-[4-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]-[2-hydroxy-4-(tetrazol-1-yl)phenyl]methanone?
The InChIKey is BIFXBEWTXLEGLA-INIZCTEOSA-N. The full InChI is InChI=1S/C19H26N6O3/c26-12-14-5-8-23(9-6-14)16-2-1-7-24(11-16)19(28)17-4-3-15(10-18(17)27)25-13-20-21-22-25/h3-4,10,13-14,16,26-27H,1-2,5-9,11-12H2/t16-/m0/s1.
What are the key properties of [(3S)-3-[4-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]-[2-hydroxy-4-(tetrazol-1-yl)phenyl]methanone?
[(3S)-3-[4-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]-[2-hydroxy-4-(tetrazol-1-yl)phenyl]methanone has a molecular weight of 386.46 g/mol, XLogP of 0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-[4-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]-[2-hydroxy-4-(tetrazol-1-yl)phenyl]methanone is sourced from PubChem (CID 95729380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).