[4-[(S)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-[4-methoxy-3-(tetrazol-1-yl)phenyl]methanone

C21H22FN5O3 — CID 97348966

IUPAC[4-[(S)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-[4-methoxy-3-(tetrazol-1-yl)phenyl]methanone
SMILESCOc1ccc(C(=O)N2CCC([C@H](O)c3ccc(F)cc3)CC2)cc1-n1cnnn1
InChIInChI=1S/C21H22FN5O3/c1-30-19-7-4-16(12-18(19)27-13-23-24-25-27)21(29)26-10-8-15(9-11-26)20(28)14-2-5-17(22)6-3-14/h2-7,12-13,15,20,28H,8-11H2,1H3/t20-/m1/s1
InChIKeyMNBNIQYJYFWOEJ-HXUWFJFHSA-N
MW411.44 g/mol
LogP2.40
Rot. Bonds5

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

[4-[(S)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-[4-methoxy-3-(tetrazol-1-yl)phenyl]methanone (PubChem CID 97348966) has the molecular formula C21H22FN5O3 and a molecular weight of 411.44 g/mol. Its IUPAC name is [4-[(S)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-[4-methoxy-3-(tetrazol-1-yl)phenyl]methanone.

Molecular Properties

Compound Name[4-[(S)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-[4-methoxy-3-(tetrazol-1-yl)phenyl]methanone
PubChem CID97348966
Molecular FormulaC21H22FN5O3
Molecular Weight411.44 g/mol
Exact Mass411.17
IUPAC Name[4-[(S)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-[4-methoxy-3-(tetrazol-1-yl)phenyl]methanone
SMILESCOc1ccc(C(=O)N2CCC([C@H](O)c3ccc(F)cc3)CC2)cc1-n1cnnn1
InChIInChI=1S/C21H22FN5O3/c1-30-19-7-4-16(12-18(19)27-13-23-24-25-27)21(29)26-10-8-15(9-11-26)20(28)14-2-5-17(22)6-3-14/h2-7,12-13,15,20,28H,8-11H2,1H3/t20-/m1/s1
InChIKeyMNBNIQYJYFWOEJ-HXUWFJFHSA-N
XLogP2.40
TPSA93.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.44
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-ethylpiperidin-1-yl)-[4-methoxy-3-(tetrazol-1-yl)phenyl]methanone
CID 75501375
[4-methoxy-3-(tetrazol-1-yl)phenyl]-(9-methyl-6-azaspiro[3.5]nonan-6-yl)methanone
CID 139001408
7-azaspiro[4.5]decan-7-yl-[4-methoxy-3-(tetrazol-1-yl)phenyl]methanone
CID 139007189
(2-chloro-4-pyridinyl)-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]methanone
CID 56803648
ethyl (3R)-3-(4-fluorophenyl)-3-[1-[4-(tetrazol-1-yl)benzoyl]piperidin-4-yl]propanoate
CID 37039387
3-[1-[4-methoxy-3-(tetrazol-1-yl)benzoyl]piperidin-3-yl]propanoic acid
CID 120536453
[4-methoxy-3-(tetrazol-1-yl)phenyl]-(9-oxa-2-azaspiro[5.5]undecan-2-yl)methanone
CID 139001308
(6R)-4-[4-methoxy-3-(tetrazol-1-yl)benzoyl]-6-methylmorpholine-2-carboxylic acid
CID 120536006
[4-(1-aminoethyl)piperidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 63597078
[4-(aminomethyl)phenyl]-[4-[(S)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]methanone
CID 125154336
[4-methoxy-3-(tetrazol-1-yl)phenyl]-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)methanone
CID 75501443
[4-[(R)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 95617040

Frequently Asked Questions

What is the IUPAC name of [4-[(S)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-[4-methoxy-3-(tetrazol-1-yl)phenyl]methanone?
The IUPAC name of [4-[(S)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-[4-methoxy-3-(tetrazol-1-yl)phenyl]methanone (CID 97348966) is [4-[(S)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-[4-methoxy-3-(tetrazol-1-yl)phenyl]methanone.
What is the SMILES notation for [4-[(S)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-[4-methoxy-3-(tetrazol-1-yl)phenyl]methanone?
The canonical SMILES for [4-[(S)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-[4-methoxy-3-(tetrazol-1-yl)phenyl]methanone is COc1ccc(C(=O)N2CCC([C@H](O)c3ccc(F)cc3)CC2)cc1-n1cnnn1.
What is the InChIKey of [4-[(S)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-[4-methoxy-3-(tetrazol-1-yl)phenyl]methanone?
The InChIKey is MNBNIQYJYFWOEJ-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H22FN5O3/c1-30-19-7-4-16(12-18(19)27-13-23-24-25-27)21(29)26-10-8-15(9-11-26)20(28)14-2-5-17(22)6-3-14/h2-7,12-13,15,20,28H,8-11H2,1H3/t20-/m1/s1.
What are the key properties of [4-[(S)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-[4-methoxy-3-(tetrazol-1-yl)phenyl]methanone?
[4-[(S)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-[4-methoxy-3-(tetrazol-1-yl)phenyl]methanone has a molecular weight of 411.44 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(S)-(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]-[4-methoxy-3-(tetrazol-1-yl)phenyl]methanone is sourced from PubChem (CID 97348966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).