5-methyl-1-[3-methyl-2-(5-phenyltetrazol-2-yl)butanoyl]piperidine-3-carboxylic acid

C19H25N5O3 — CID 122119830

IUPAC5-methyl-1-[3-methyl-2-(5-phenyltetrazol-2-yl)butanoyl]piperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(C(=O)C(C(C)C)n2nnc(-c3ccccc3)n2)C1
InChIInChI=1S/C19H25N5O3/c1-12(2)16(18(25)23-10-13(3)9-15(11-23)19(26)27)24-21-17(20-22-24)14-7-5-4-6-8-14/h4-8,12-13,15-16H,9-11H2,1-3H3,(H,26,27)
InChIKeyIYCRTQOICLJAJG-UHFFFAOYSA-N
MW371.44 g/mol
LogP2.11
Rot. Bonds5

About 5-methyl-1-[3-methyl-2-(5-phenyltetrazol-2-yl)butanoyl]piperidine-3-carboxylic acid

5-methyl-1-[3-methyl-2-(5-phenyltetrazol-2-yl)butanoyl]piperidine-3-carboxylic acid (PubChem CID 122119830) has the molecular formula C19H25N5O3 and a molecular weight of 371.44 g/mol. Its IUPAC name is 5-methyl-1-[3-methyl-2-(5-phenyltetrazol-2-yl)butanoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name5-methyl-1-[3-methyl-2-(5-phenyltetrazol-2-yl)butanoyl]piperidine-3-carboxylic acid
PubChem CID122119830
Molecular FormulaC19H25N5O3
Molecular Weight371.44 g/mol
Exact Mass371.20
IUPAC Name5-methyl-1-[3-methyl-2-(5-phenyltetrazol-2-yl)butanoyl]piperidine-3-carboxylic acid
SMILESCC1CC(C(=O)O)CN(C(=O)C(C(C)C)n2nnc(-c3ccccc3)n2)C1
InChIInChI=1S/C19H25N5O3/c1-12(2)16(18(25)23-10-13(3)9-15(11-23)19(26)27)24-21-17(20-22-24)14-7-5-4-6-8-14/h4-8,12-13,15-16H,9-11H2,1-3H3,(H,26,27)
InChIKeyIYCRTQOICLJAJG-UHFFFAOYSA-N
XLogP2.11
TPSA101.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(1-aminoethyl)piperidin-1-yl]-3-methyl-2-(5-phenyltetrazol-2-yl)butan-1-one;hydrochloride
CID 119517161
(2S)-3-methyl-N-(3-methylcyclobutyl)-2-(5-phenyltetrazol-2-yl)butanamide
CID 97319224
1-[2-(1,3-dioxoisoindol-2-yl)-3-methylbutanoyl]-5-methylpiperidine-3-carboxylic acid
CID 122120013
1-[4-(ethylaminomethyl)piperidin-1-yl]-3-methyl-2-(5-phenyltetrazol-2-yl)butan-1-one;hydrochloride
CID 119644614
5-methyl-1-[(2S)-2-phenylpropanoyl]piperidine-3-carboxylic acid
CID 122117477
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-3-methyl-2-(5-phenyltetrazol-2-yl)butan-1-one;hydrochloride
CID 120806502
cis-(1R,3S)-3-[2-(5-phenyltetrazol-2-yl)propanoylamino]cyclopentane-1-carboxylic acid
CID 120678868
1-[4-(3-aminopropoxy)piperidin-1-yl]-3-methyl-2-(5-phenyltetrazol-2-yl)butan-1-one;hydrochloride
CID 119661883
1-[(3R)-3-aminopyrrolidin-1-yl]-2-(5-phenyltetrazol-2-yl)propan-1-one
CID 119413579
5-methyl-1-(2-phenylpentanoyl)piperidine-3-carboxylic acid
CID 122120007
1-(4-hydroxypiperidin-1-yl)-2-(5-phenyltetrazol-2-yl)propan-1-one
CID 111470117
1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-(5-phenyltetrazol-2-yl)ethanone
CID 9262794

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[3-methyl-2-(5-phenyltetrazol-2-yl)butanoyl]piperidine-3-carboxylic acid?
The IUPAC name of 5-methyl-1-[3-methyl-2-(5-phenyltetrazol-2-yl)butanoyl]piperidine-3-carboxylic acid (CID 122119830) is 5-methyl-1-[3-methyl-2-(5-phenyltetrazol-2-yl)butanoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 5-methyl-1-[3-methyl-2-(5-phenyltetrazol-2-yl)butanoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 5-methyl-1-[3-methyl-2-(5-phenyltetrazol-2-yl)butanoyl]piperidine-3-carboxylic acid is CC1CC(C(=O)O)CN(C(=O)C(C(C)C)n2nnc(-c3ccccc3)n2)C1.
What is the InChIKey of 5-methyl-1-[3-methyl-2-(5-phenyltetrazol-2-yl)butanoyl]piperidine-3-carboxylic acid?
The InChIKey is IYCRTQOICLJAJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O3/c1-12(2)16(18(25)23-10-13(3)9-15(11-23)19(26)27)24-21-17(20-22-24)14-7-5-4-6-8-14/h4-8,12-13,15-16H,9-11H2,1-3H3,(H,26,27).
What are the key properties of 5-methyl-1-[3-methyl-2-(5-phenyltetrazol-2-yl)butanoyl]piperidine-3-carboxylic acid?
5-methyl-1-[3-methyl-2-(5-phenyltetrazol-2-yl)butanoyl]piperidine-3-carboxylic acid has a molecular weight of 371.44 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[3-methyl-2-(5-phenyltetrazol-2-yl)butanoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 122119830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).