1-[[4-(tetrazol-1-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid

C14H16N6O3 — CID 122074299

IUPAC1-[[4-(tetrazol-1-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)Nc2ccc(-n3cnnn3)cc2)C1
InChIInChI=1S/C14H16N6O3/c21-13(22)10-2-1-7-19(8-10)14(23)16-11-3-5-12(6-4-11)20-9-15-17-18-20/h3-6,9-10H,1-2,7-8H2,(H,16,23)(H,21,22)
InChIKeyVPWYNCXQMBHHNX-UHFFFAOYSA-N
MW316.32 g/mol
LogP0.99
Rot. Bonds3

About 1-[[4-(tetrazol-1-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid

1-[[4-(tetrazol-1-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid (PubChem CID 122074299) has the molecular formula C14H16N6O3 and a molecular weight of 316.32 g/mol. Its IUPAC name is 1-[[4-(tetrazol-1-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[4-(tetrazol-1-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid
PubChem CID122074299
Molecular FormulaC14H16N6O3
Molecular Weight316.32 g/mol
Exact Mass316.13
IUPAC Name1-[[4-(tetrazol-1-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)Nc2ccc(-n3cnnn3)cc2)C1
InChIInChI=1S/C14H16N6O3/c21-13(22)10-2-1-7-19(8-10)14(23)16-11-3-5-12(6-4-11)20-9-15-17-18-20/h3-6,9-10H,1-2,7-8H2,(H,16,23)(H,21,22)
InChIKeyVPWYNCXQMBHHNX-UHFFFAOYSA-N
XLogP0.99
TPSA113.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-1-[4-(tetrazol-1-yl)benzoyl]piperidine-3-carboxylic acid
CID 119113545
(3R)-1-[2-chloro-4-(tetrazol-1-yl)benzoyl]piperidine-3-carboxylic acid
CID 129381235
1-[2-chloro-4-(tetrazol-1-yl)benzoyl]piperidine-3-carboxylic acid
CID 126770633
1-[[4-(1,3,4-thiadiazol-2-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122092432
azocan-1-yl-[4-(tetrazol-1-yl)phenyl]methanone
CID 47006518
1-[(4-indazol-1-ylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 122088823
(3S)-1-[(3,4-difluorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 28512909
1-[[4-(methylsulfanylmethyl)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122079098
1-[[4-[(2-methylpropan-2-yl)oxy]phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122085523
1-[[4-(butan-2-ylcarbamoyl)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122077559
(3S)-1-N-[4-[[(3S)-3-(diethylcarbamoyl)piperidine-1-carbonyl]amino]phenyl]-3-N,3-N-diethylpiperidine-1,3-dicarboxamide
CID 40620948
(3R)-1-[(3-acetylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 28512783

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(tetrazol-1-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[[4-(tetrazol-1-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid (CID 122074299) is 1-[[4-(tetrazol-1-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[[4-(tetrazol-1-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[[4-(tetrazol-1-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid is O=C(O)C1CCCN(C(=O)Nc2ccc(-n3cnnn3)cc2)C1.
What is the InChIKey of 1-[[4-(tetrazol-1-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid?
The InChIKey is VPWYNCXQMBHHNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O3/c21-13(22)10-2-1-7-19(8-10)14(23)16-11-3-5-12(6-4-11)20-9-15-17-18-20/h3-6,9-10H,1-2,7-8H2,(H,16,23)(H,21,22).
What are the key properties of 1-[[4-(tetrazol-1-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid?
1-[[4-(tetrazol-1-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid has a molecular weight of 316.32 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(tetrazol-1-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 122074299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).