1-(4-methylpiperidin-1-yl)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]ethanone

C18H25N5O — CID 860141

IUPAC1-(4-methylpiperidin-1-yl)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]ethanone
SMILESCC1CCN(C(=O)Cn2nnc(-c3ccc(C(C)C)cc3)n2)CC1
InChIInChI=1S/C18H25N5O/c1-13(2)15-4-6-16(7-5-15)18-19-21-23(20-18)12-17(24)22-10-8-14(3)9-11-22/h4-7,13-14H,8-12H2,1-3H3
InChIKeyTZFUCWPNDGPTRK-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.72
Rot. Bonds4

About 1-(4-methylpiperidin-1-yl)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]ethanone

1-(4-methylpiperidin-1-yl)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]ethanone (PubChem CID 860141) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is 1-(4-methylpiperidin-1-yl)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]ethanone.

Molecular Properties

Compound Name1-(4-methylpiperidin-1-yl)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]ethanone
PubChem CID860141
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name1-(4-methylpiperidin-1-yl)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]ethanone
SMILESCC1CCN(C(=O)Cn2nnc(-c3ccc(C(C)C)cc3)n2)CC1
InChIInChI=1S/C18H25N5O/c1-13(2)15-4-6-16(7-5-15)18-19-21-23(20-18)12-17(24)22-10-8-14(3)9-11-22/h4-7,13-14H,8-12H2,1-3H3
InChIKeyTZFUCWPNDGPTRK-UHFFFAOYSA-N
XLogP2.72
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-adamantyl)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]ethanone
CID 7489431
N-cycloheptyl-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide
CID 7589043
1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-(5-phenyltetrazol-2-yl)ethanone
CID 9262794
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-[5-(4-methylphenyl)tetrazol-2-yl]ethanone
CID 119647165
1-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]-2-[5-(4-methylphenyl)tetrazol-2-yl]ethanone
CID 46979749
1-(4-benzylpiperidin-1-yl)-2-[5-(4-methylphenyl)tetrazol-2-yl]ethanone
CID 7465704
1-[4-(methylaminomethyl)piperidin-1-yl]-2-(5-phenyltetrazol-2-yl)ethanone
CID 119545660
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-[5-(4-chlorophenyl)tetrazol-2-yl]ethanone
CID 120818609
1-[(4S)-4-aminoazepan-1-yl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]ethanone
CID 95723061
2-[5-(4-fluorophenyl)tetrazol-2-yl]-1-piperidin-1-ylethanone
CID 744261
1-[(3R)-3-methylpiperidin-1-yl]-2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]ethanone
CID 1136669
N-(propan-2-ylcarbamoyl)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]acetamide
CID 8025143

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperidin-1-yl)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]ethanone?
The IUPAC name of 1-(4-methylpiperidin-1-yl)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]ethanone (CID 860141) is 1-(4-methylpiperidin-1-yl)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]ethanone.
What is the SMILES notation for 1-(4-methylpiperidin-1-yl)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]ethanone?
The canonical SMILES for 1-(4-methylpiperidin-1-yl)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]ethanone is CC1CCN(C(=O)Cn2nnc(-c3ccc(C(C)C)cc3)n2)CC1.
What is the InChIKey of 1-(4-methylpiperidin-1-yl)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]ethanone?
The InChIKey is TZFUCWPNDGPTRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-13(2)15-4-6-16(7-5-15)18-19-21-23(20-18)12-17(24)22-10-8-14(3)9-11-22/h4-7,13-14H,8-12H2,1-3H3.
What are the key properties of 1-(4-methylpiperidin-1-yl)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]ethanone?
1-(4-methylpiperidin-1-yl)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]ethanone has a molecular weight of 327.43 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperidin-1-yl)-2-[5-(4-propan-2-ylphenyl)tetrazol-2-yl]ethanone is sourced from PubChem (CID 860141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).