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

C17H22N6O3 — CID 119349526

IUPAC1-[2-[(1-phenyltetrazol-5-yl)amino]butanoyl]piperidine-4-carboxylic acid
SMILESCCC(Nc1nnnn1-c1ccccc1)C(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C17H22N6O3/c1-2-14(15(24)22-10-8-12(9-11-22)16(25)26)18-17-19-20-21-23(17)13-6-4-3-5-7-13/h3-7,12,14H,2,8-11H2,1H3,(H,25,26)(H,18,19,21)
InChIKeyGMKPHXBSSHBRGT-UHFFFAOYSA-N
MW358.40 g/mol
LogP1.18
Rot. Bonds6

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

1-[2-[(1-phenyltetrazol-5-yl)amino]butanoyl]piperidine-4-carboxylic acid (PubChem CID 119349526) has the molecular formula C17H22N6O3 and a molecular weight of 358.40 g/mol. Its IUPAC name is 1-[2-[(1-phenyltetrazol-5-yl)amino]butanoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[(1-phenyltetrazol-5-yl)amino]butanoyl]piperidine-4-carboxylic acid
PubChem CID119349526
Molecular FormulaC17H22N6O3
Molecular Weight358.40 g/mol
Exact Mass358.18
IUPAC Name1-[2-[(1-phenyltetrazol-5-yl)amino]butanoyl]piperidine-4-carboxylic acid
SMILESCCC(Nc1nnnn1-c1ccccc1)C(=O)N1CCC(C(=O)O)CC1
InChIInChI=1S/C17H22N6O3/c1-2-14(15(24)22-10-8-12(9-11-22)16(25)26)18-17-19-20-21-23(17)13-6-4-3-5-7-13/h3-7,12,14H,2,8-11H2,1H3,(H,25,26)(H,18,19,21)
InChIKeyGMKPHXBSSHBRGT-UHFFFAOYSA-N
XLogP1.18
TPSA113.24 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-[methyl-[2-[(1-phenyltetrazol-5-yl)amino]butanoyl]amino]propanoic acid
CID 119362556
(2S)-2-[2-[(1-phenyltetrazol-5-yl)amino]butanoylamino]hexanoic acid
CID 120615255
3-methoxy-2-[(1-phenyltetrazol-5-yl)amino]propanoic acid
CID 81077703
(2R)-N-(1-ethylpyrazol-4-yl)-2-[(1-phenyltetrazol-5-yl)amino]butanamide
CID 95331748
N-[3-(ethylaminomethyl)phenyl]-2-[(1-phenyltetrazol-5-yl)amino]butanamide;dihydrochloride
CID 119438091
2-ethyl-1-[4-[(1-phenyltetrazol-5-yl)methyl]piperazin-1-yl]butan-1-one
CID 30936083
1-(2-phenylpentanoyl)piperidine-4-carboxylic acid
CID 75416877
(2S)-2-anilino-4-methyl-1-(4-propan-2-ylpiperidin-1-yl)pentan-1-one
CID 166782041
3-phenyl-1-[4-[4-(1-phenyltetrazol-5-yl)piperazine-1-carbonyl]piperidin-1-yl]propan-1-one
CID 55636487
2-[[(1-phenyltetrazol-5-yl)amino]methyl]pentanoic acid
CID 65224474
1-[(5-methyl-1-phenylpyrazol-4-yl)carbamoyl]piperidine-4-carboxylic acid
CID 122087339
N-[(1-butylpiperidin-2-yl)methyl]-1-phenyltetrazol-5-amine
CID 133301225

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1-phenyltetrazol-5-yl)amino]butanoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-[(1-phenyltetrazol-5-yl)amino]butanoyl]piperidine-4-carboxylic acid (CID 119349526) is 1-[2-[(1-phenyltetrazol-5-yl)amino]butanoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-[(1-phenyltetrazol-5-yl)amino]butanoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-[(1-phenyltetrazol-5-yl)amino]butanoyl]piperidine-4-carboxylic acid is CCC(Nc1nnnn1-c1ccccc1)C(=O)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[2-[(1-phenyltetrazol-5-yl)amino]butanoyl]piperidine-4-carboxylic acid?
The InChIKey is GMKPHXBSSHBRGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O3/c1-2-14(15(24)22-10-8-12(9-11-22)16(25)26)18-17-19-20-21-23(17)13-6-4-3-5-7-13/h3-7,12,14H,2,8-11H2,1H3,(H,25,26)(H,18,19,21).
What are the key properties of 1-[2-[(1-phenyltetrazol-5-yl)amino]butanoyl]piperidine-4-carboxylic acid?
1-[2-[(1-phenyltetrazol-5-yl)amino]butanoyl]piperidine-4-carboxylic acid has a molecular weight of 358.40 g/mol, XLogP of 1.18, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1-phenyltetrazol-5-yl)amino]butanoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 119349526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).