N-[1-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperidin-4-yl]-2-methylbenzamide

C22H25FN6O — CID 650695

IUPACN-[1-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperidin-4-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC1CCN(Cc2nnnn2Cc2ccc(F)cc2)CC1
InChIInChI=1S/C22H25FN6O/c1-16-4-2-3-5-20(16)22(30)24-19-10-12-28(13-11-19)15-21-25-26-27-29(21)14-17-6-8-18(23)9-7-17/h2-9,19H,10-15H2,1H3,(H,24,30)
InChIKeyMSUIRKGUOFIXRF-UHFFFAOYSA-N
MW408.48 g/mol
LogP2.56
Rot. Bonds6

About N-[1-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperidin-4-yl]-2-methylbenzamide

N-[1-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperidin-4-yl]-2-methylbenzamide (PubChem CID 650695) has the molecular formula C22H25FN6O and a molecular weight of 408.48 g/mol. Its IUPAC name is N-[1-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperidin-4-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[1-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperidin-4-yl]-2-methylbenzamide
PubChem CID650695
Molecular FormulaC22H25FN6O
Molecular Weight408.48 g/mol
Exact Mass408.21
IUPAC NameN-[1-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperidin-4-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC1CCN(Cc2nnnn2Cc2ccc(F)cc2)CC1
InChIInChI=1S/C22H25FN6O/c1-16-4-2-3-5-20(16)22(30)24-19-10-12-28(13-11-19)15-21-25-26-27-29(21)14-17-6-8-18(23)9-7-17/h2-9,19H,10-15H2,1H3,(H,24,30)
InChIKeyMSUIRKGUOFIXRF-UHFFFAOYSA-N
XLogP2.56
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1-benzyltetrazol-5-yl)methyl]-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-2-(trifluoromethyl)benzamide
CID 146680839
4-((1-benzyl-1H-tetrazol-5-yl)(4-cyclobutyl-1,4-diazepan-1-yl)methyl)-N-methylbenzamide
CID 49865290
N-[1-(1-Cyclopentyl-1H-tetrazol-5-ylmethyl)-piperidin-4-yl]-2-methyl-benzamide
CID 1445102
5-(Biphenyl-3-ylcarboxamidomethyl)-N,N-dimethyl-1H-tetrazole-1-carboxamide
CID 24795718
4-[[benzoyl-[(1-cyclohexyltetrazol-5-yl)methyl]amino]methyl]-N-hydroxybenzamide
CID 162650273
4-[[1-(1-benzyltetrazol-5-yl)pentylamino]methyl]-N-hydroxybenzamide
CID 162655485
4-[[[(1-cyclohexyltetrazol-5-yl)-phenylmethyl]amino]methyl]-N-hydroxybenzamide
CID 162657997
N-[(1-cyclohexyltetrazol-5-yl)methyl]-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-2-methylbenzamide
CID 162662378
2-Methyl-N-[1-(1-phenethyl-1H-tetrazol-5-ylmethyl)-piperidin-4-yl]-benzamide
CID 646162
N-[1-(1-Benzyl-1H-tetrazol-5-ylmethyl)-piperidin-4-yl]-2-methyl-benzamide
CID 651332
N-[1-[(1-tert-butyltetrazol-5-yl)methyl]piperidin-4-yl]-2-methylbenzamide
CID 1445087
2-Fluoro-N-[1-(1-phenethyl-1H-tetrazol-5-ylmethyl)-piperidin-4-yl]-benzamide
CID 645546

Frequently Asked Questions

What is the IUPAC name of N-[1-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperidin-4-yl]-2-methylbenzamide?
The IUPAC name of N-[1-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperidin-4-yl]-2-methylbenzamide (CID 650695) is N-[1-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperidin-4-yl]-2-methylbenzamide.
What is the SMILES notation for N-[1-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperidin-4-yl]-2-methylbenzamide?
The canonical SMILES for N-[1-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperidin-4-yl]-2-methylbenzamide is Cc1ccccc1C(=O)NC1CCN(Cc2nnnn2Cc2ccc(F)cc2)CC1.
What is the InChIKey of N-[1-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperidin-4-yl]-2-methylbenzamide?
The InChIKey is MSUIRKGUOFIXRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN6O/c1-16-4-2-3-5-20(16)22(30)24-19-10-12-28(13-11-19)15-21-25-26-27-29(21)14-17-6-8-18(23)9-7-17/h2-9,19H,10-15H2,1H3,(H,24,30).
What are the key properties of N-[1-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperidin-4-yl]-2-methylbenzamide?
N-[1-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperidin-4-yl]-2-methylbenzamide has a molecular weight of 408.48 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperidin-4-yl]-2-methylbenzamide is sourced from PubChem (CID 650695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).