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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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).