N-[1-(4-fluorophenyl)propyl]-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide

C19H27FN6O — CID 45169028

IUPACN-[1-(4-fluorophenyl)propyl]-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide
SMILESCCC(NC(=O)Cn1nnnc1CN1CCC(C)CC1)c1ccc(F)cc1
InChIInChI=1S/C19H27FN6O/c1-3-17(15-4-6-16(20)7-5-15)21-19(27)13-26-18(22-23-24-26)12-25-10-8-14(2)9-11-25/h4-7,14,17H,3,8-13H2,1-2H3,(H,21,27)
InChIKeyWMVNQGCKDCWOAK-UHFFFAOYSA-N
MW374.46 g/mol
LogP2.31
Rot. Bonds7

About N-[1-(4-fluorophenyl)propyl]-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide

N-[1-(4-fluorophenyl)propyl]-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide (PubChem CID 45169028) has the molecular formula C19H27FN6O and a molecular weight of 374.46 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)propyl]-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)propyl]-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide
PubChem CID45169028
Molecular FormulaC19H27FN6O
Molecular Weight374.46 g/mol
Exact Mass374.22
IUPAC NameN-[1-(4-fluorophenyl)propyl]-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide
SMILESCCC(NC(=O)Cn1nnnc1CN1CCC(C)CC1)c1ccc(F)cc1
InChIInChI=1S/C19H27FN6O/c1-3-17(15-4-6-16(20)7-5-15)21-19(27)13-26-18(22-23-24-26)12-25-10-8-14(2)9-11-25/h4-7,14,17H,3,8-13H2,1-2H3,(H,21,27)
InChIKeyWMVNQGCKDCWOAK-UHFFFAOYSA-N
XLogP2.31
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(R)-2-amino-N-(1-(1-(2-cyanoethyl)-1H-tetrazol-5-yl)-4,4-difluoro-4-phenylbutyl)-2-methylpropanamide
CID 44560945
N-(4-fluorobenzyl)-2-(5-{[isopropyl(methyl)amino]methyl}-1H-tetrazol-1-yl)-N-methylacetamide
CID 23723423
1-[(4-Fluorophenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperidine-4-carboxamide;hydrochloride
CID 16192879
1-{[1-(3-Methyl-butyl)-1H-tetrazol-5-yl]-phenyl-methyl}-piperidine-4-carboxylic acid amide
CID 648991
1-[1-(1-Benzyl-1H-tetrazol-5-yl)-2-methyl-propyl]-piperidine-4-carboxylic acid amide
CID 651035
N-[1-(1-tert-Butyl-1H-tetrazol-5-ylmethyl)-4-phenyl-piperidin-4-yl]-acetamide
CID 654768
CID 16192910
CID 16192910
2-(5-{[isopropyl(methyl)amino]methyl}-1H-tetrazol-1-yl)-N-{2-[3-(trifluoromethyl)phenyl]ethyl}acetamide
CID 23723578
N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-(tetrazol-1-yl)acetamide
CID 24794018
N-[1-(4-isobutylbenzyl)-3-piperidinyl]-3-(1H-tetrazol-1-yl)propanamide
CID 24819184
N-[(1S)-3-[4-(3-isopropyl-5-methyl-1,2,4-triazol-4-yl)-1-piperidyl]-1-phenyl-butyl]acetamide
CID 44564835
3,3,3-trifluoro-N-[(1S)-3-[4-(3-isopropyl-5-methyl-1,2,4-triazol-4-yl)-1-piperidyl]-1-phenyl-butyl]propanamide
CID 44564884

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)propyl]-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide?
The IUPAC name of N-[1-(4-fluorophenyl)propyl]-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide (CID 45169028) is N-[1-(4-fluorophenyl)propyl]-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)propyl]-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide?
The canonical SMILES for N-[1-(4-fluorophenyl)propyl]-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide is CCC(NC(=O)Cn1nnnc1CN1CCC(C)CC1)c1ccc(F)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)propyl]-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide?
The InChIKey is WMVNQGCKDCWOAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN6O/c1-3-17(15-4-6-16(20)7-5-15)21-19(27)13-26-18(22-23-24-26)12-25-10-8-14(2)9-11-25/h4-7,14,17H,3,8-13H2,1-2H3,(H,21,27).
What are the key properties of N-[1-(4-fluorophenyl)propyl]-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide?
N-[1-(4-fluorophenyl)propyl]-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide has a molecular weight of 374.46 g/mol, XLogP of 2.31, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)propyl]-2-[5-[(4-methylpiperidin-1-yl)methyl]tetrazol-1-yl]acetamide is sourced from PubChem (CID 45169028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).