1-[4-(5-phenyltetrazol-2-yl)butanoyl]piperidine-3-carboxylic acid

C17H21N5O3 — CID 119167482

IUPAC1-[4-(5-phenyltetrazol-2-yl)butanoyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)CCCn2nnc(-c3ccccc3)n2)C1
InChIInChI=1S/C17H21N5O3/c23-15(21-10-4-8-14(12-21)17(24)25)9-5-11-22-19-16(18-20-22)13-6-2-1-3-7-13/h1-3,6-7,14H,4-5,8-12H2,(H,24,25)
InChIKeySJEYYLGAFGAKKR-UHFFFAOYSA-N
MW343.39 g/mol
LogP1.44
Rot. Bonds6

About 1-[4-(5-phenyltetrazol-2-yl)butanoyl]piperidine-3-carboxylic acid

1-[4-(5-phenyltetrazol-2-yl)butanoyl]piperidine-3-carboxylic acid (PubChem CID 119167482) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is 1-[4-(5-phenyltetrazol-2-yl)butanoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[4-(5-phenyltetrazol-2-yl)butanoyl]piperidine-3-carboxylic acid
PubChem CID119167482
Molecular FormulaC17H21N5O3
Molecular Weight343.39 g/mol
Exact Mass343.16
IUPAC Name1-[4-(5-phenyltetrazol-2-yl)butanoyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)CCCn2nnc(-c3ccccc3)n2)C1
InChIInChI=1S/C17H21N5O3/c23-15(21-10-4-8-14(12-21)17(24)25)9-5-11-22-19-16(18-20-22)13-6-2-1-3-7-13/h1-3,6-7,14H,4-5,8-12H2,(H,24,25)
InChIKeySJEYYLGAFGAKKR-UHFFFAOYSA-N
XLogP1.44
TPSA101.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-1-[4-(5-phenyltetrazol-2-yl)butanoyl]piperidine-3-carboxamide
CID 95280291
(2S)-1-[4-(5-phenyltetrazol-2-yl)butanoyl]pyrrolidine-2-carboxylic acid
CID 124702735
4-(5-phenyltetrazol-2-yl)-1-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]butan-1-one
CID 154800378
(3S)-1-[4-(1,3-dihydroisoindol-2-yl)butanoyl]piperidine-3-carboxylic acid
CID 126450015
1-(4-phenylbutanoyl)piperidine-3-carboxylic acid
CID 43119516
3-[(3R)-1-[2-(5-phenyltetrazol-2-yl)acetyl]piperidin-3-yl]propanoic acid
CID 124701783
N-(1-cyclohexylpiperidin-3-yl)-4-(5-phenyltetrazol-2-yl)butanamide
CID 86904326
1-[(2S,4R)-4-amino-2-methylpiperidin-1-yl]-4-(5-phenyltetrazol-2-yl)butan-1-one
CID 124693799
1-[4-(3-carboxypiperidin-1-yl)-4-oxobutanoyl]piperidine-3-carboxylic acid
CID 57094658
1-[2-(4-phenylphenyl)acetyl]piperidine-3-carboxylic acid
CID 45429214
1-[4-(1H-benzimidazol-2-yl)butanoyl]piperidine-3-carboxylic acid
CID 167903187
(3S)-1-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanoyl]piperidine-3-carboxamide
CID 94176966

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-phenyltetrazol-2-yl)butanoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[4-(5-phenyltetrazol-2-yl)butanoyl]piperidine-3-carboxylic acid (CID 119167482) is 1-[4-(5-phenyltetrazol-2-yl)butanoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[4-(5-phenyltetrazol-2-yl)butanoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[4-(5-phenyltetrazol-2-yl)butanoyl]piperidine-3-carboxylic acid is O=C(O)C1CCCN(C(=O)CCCn2nnc(-c3ccccc3)n2)C1.
What is the InChIKey of 1-[4-(5-phenyltetrazol-2-yl)butanoyl]piperidine-3-carboxylic acid?
The InChIKey is SJEYYLGAFGAKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O3/c23-15(21-10-4-8-14(12-21)17(24)25)9-5-11-22-19-16(18-20-22)13-6-2-1-3-7-13/h1-3,6-7,14H,4-5,8-12H2,(H,24,25).
What are the key properties of 1-[4-(5-phenyltetrazol-2-yl)butanoyl]piperidine-3-carboxylic acid?
1-[4-(5-phenyltetrazol-2-yl)butanoyl]piperidine-3-carboxylic acid has a molecular weight of 343.39 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-phenyltetrazol-2-yl)butanoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 119167482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).