N-methyl-2-(5-phenyltetrazol-2-yl)-N-(2-piperidin-1-ylethyl)acetamide

C17H24N6O — CID 46981616

IUPACN-methyl-2-(5-phenyltetrazol-2-yl)-N-(2-piperidin-1-ylethyl)acetamide
SMILESCN(CCN1CCCCC1)C(=O)Cn1nnc(-c2ccccc2)n1
InChIInChI=1S/C17H24N6O/c1-21(12-13-22-10-6-3-7-11-22)16(24)14-23-19-17(18-20-23)15-8-4-2-5-9-15/h2,4-5,8-9H,3,6-7,10-14H2,1H3
InChIKeyXVYLJSBTBLQUTB-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.28
Rot. Bonds6

About N-methyl-2-(5-phenyltetrazol-2-yl)-N-(2-piperidin-1-ylethyl)acetamide

N-methyl-2-(5-phenyltetrazol-2-yl)-N-(2-piperidin-1-ylethyl)acetamide (PubChem CID 46981616) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is N-methyl-2-(5-phenyltetrazol-2-yl)-N-(2-piperidin-1-ylethyl)acetamide.

Molecular Properties

Compound NameN-methyl-2-(5-phenyltetrazol-2-yl)-N-(2-piperidin-1-ylethyl)acetamide
PubChem CID46981616
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC NameN-methyl-2-(5-phenyltetrazol-2-yl)-N-(2-piperidin-1-ylethyl)acetamide
SMILESCN(CCN1CCCCC1)C(=O)Cn1nnc(-c2ccccc2)n1
InChIInChI=1S/C17H24N6O/c1-21(12-13-22-10-6-3-7-11-22)16(24)14-23-19-17(18-20-23)15-8-4-2-5-9-15/h2,4-5,8-9H,3,6-7,10-14H2,1H3
InChIKeyXVYLJSBTBLQUTB-UHFFFAOYSA-N
XLogP1.28
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[methyl-[2-(5-phenyltetrazol-2-yl)acetyl]amino]butanoic acid
CID 119173060
N-[(2-hydroxycyclohexyl)methyl]-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide
CID 110003521
N-[(4-bromophenyl)methyl]-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide
CID 16508173
N-[(4-chlorophenyl)methyl]-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide
CID 7634179
N-(1-cyanocyclohexyl)-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide
CID 26571918
2-methyl-2-[methyl-[2-(5-phenyltetrazol-2-yl)acetyl]amino]propanoic acid
CID 119200437
N-methyl-N-(4-methylphenyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 166719133
2-(5-phenyltetrazol-2-yl)acetic acid
CID 1086563
N-(2-fluorophenyl)-N-methyl-2-(5-phenyltetrazol-2-yl)acetamide
CID 177372539
1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-(5-phenyltetrazol-2-yl)ethanone
CID 9262794
2-(azepan-1-yl)-N-benzyl-N-methylethanamine
CID 54806241
N-methyl-N-(2-piperidin-1-ylethyl)pyridine-4-carboxamide
CID 110753397

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(5-phenyltetrazol-2-yl)-N-(2-piperidin-1-ylethyl)acetamide?
The IUPAC name of N-methyl-2-(5-phenyltetrazol-2-yl)-N-(2-piperidin-1-ylethyl)acetamide (CID 46981616) is N-methyl-2-(5-phenyltetrazol-2-yl)-N-(2-piperidin-1-ylethyl)acetamide.
What is the SMILES notation for N-methyl-2-(5-phenyltetrazol-2-yl)-N-(2-piperidin-1-ylethyl)acetamide?
The canonical SMILES for N-methyl-2-(5-phenyltetrazol-2-yl)-N-(2-piperidin-1-ylethyl)acetamide is CN(CCN1CCCCC1)C(=O)Cn1nnc(-c2ccccc2)n1.
What is the InChIKey of N-methyl-2-(5-phenyltetrazol-2-yl)-N-(2-piperidin-1-ylethyl)acetamide?
The InChIKey is XVYLJSBTBLQUTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O/c1-21(12-13-22-10-6-3-7-11-22)16(24)14-23-19-17(18-20-23)15-8-4-2-5-9-15/h2,4-5,8-9H,3,6-7,10-14H2,1H3.
What are the key properties of N-methyl-2-(5-phenyltetrazol-2-yl)-N-(2-piperidin-1-ylethyl)acetamide?
N-methyl-2-(5-phenyltetrazol-2-yl)-N-(2-piperidin-1-ylethyl)acetamide has a molecular weight of 328.42 g/mol, XLogP of 1.28, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(5-phenyltetrazol-2-yl)-N-(2-piperidin-1-ylethyl)acetamide is sourced from PubChem (CID 46981616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).