3-[(3R)-1-[2-(5-phenyltetrazol-2-yl)acetyl]piperidin-3-yl]propanoic acid

C17H21N5O3 — CID 124701783

IUPAC3-[(3R)-1-[2-(5-phenyltetrazol-2-yl)acetyl]piperidin-3-yl]propanoic acid
SMILESO=C(O)CC[C@H]1CCCN(C(=O)Cn2nnc(-c3ccccc3)n2)C1
InChIInChI=1S/C17H21N5O3/c23-15(21-10-4-5-13(11-21)8-9-16(24)25)12-22-19-17(18-20-22)14-6-2-1-3-7-14/h1-3,6-7,13H,4-5,8-12H2,(H,24,25)/t13-/m1/s1
InChIKeyOYZAKAWGDGZYCQ-CYBMUJFWSA-N
MW343.39 g/mol
LogP1.44
Rot. Bonds6

About 3-[(3R)-1-[2-(5-phenyltetrazol-2-yl)acetyl]piperidin-3-yl]propanoic acid

3-[(3R)-1-[2-(5-phenyltetrazol-2-yl)acetyl]piperidin-3-yl]propanoic acid (PubChem CID 124701783) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is 3-[(3R)-1-[2-(5-phenyltetrazol-2-yl)acetyl]piperidin-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[(3R)-1-[2-(5-phenyltetrazol-2-yl)acetyl]piperidin-3-yl]propanoic acid
PubChem CID124701783
Molecular FormulaC17H21N5O3
Molecular Weight343.39 g/mol
Exact Mass343.16
IUPAC Name3-[(3R)-1-[2-(5-phenyltetrazol-2-yl)acetyl]piperidin-3-yl]propanoic acid
SMILESO=C(O)CC[C@H]1CCCN(C(=O)Cn2nnc(-c3ccccc3)n2)C1
InChIInChI=1S/C17H21N5O3/c23-15(21-10-4-5-13(11-21)8-9-16(24)25)12-22-19-17(18-20-22)14-6-2-1-3-7-14/h1-3,6-7,13H,4-5,8-12H2,(H,24,25)/t13-/m1/s1
InChIKeyOYZAKAWGDGZYCQ-CYBMUJFWSA-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

1-[3-(methylaminomethyl)piperidin-1-yl]-2-(5-phenyltetrazol-2-yl)ethanone;hydrochloride
CID 119397669
3-[(3R)-1-(2-phenylpyrimidine-5-carbonyl)piperidin-3-yl]propanoic acid
CID 124702008
1-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-(5-phenyltetrazol-2-yl)ethanone
CID 9262794
1-[4-(cyclopropylmethyl)piperazin-1-yl]-2-(5-phenyltetrazol-2-yl)ethanone
CID 56816775
1-[4-(methylaminomethyl)piperidin-1-yl]-2-(5-phenyltetrazol-2-yl)ethanone
CID 119545660
1-[4-(5-phenyltetrazol-2-yl)butanoyl]piperidine-3-carboxylic acid
CID 119167482
(3R)-1-[4-(5-phenyltetrazol-2-yl)butanoyl]piperidine-3-carboxamide
CID 95280291
3-[(3S)-1-(3-phenoxypropanoyl)piperidin-3-yl]propanoic acid
CID 124700081
2-(5-phenyltetrazol-2-yl)acetic acid
CID 1086563
1-[(4S)-4-aminoazepan-1-yl]-2-[5-(4-fluorophenyl)tetrazol-2-yl]ethanone
CID 95723061
1-(4-benzylpiperidin-1-yl)-2-[5-(4-methylphenyl)tetrazol-2-yl]ethanone
CID 7465704
1-[(3R)-3-methylpiperidin-1-yl]-2-[5-(4-morpholin-4-ylphenyl)tetrazol-2-yl]ethanone
CID 1136669

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-1-[2-(5-phenyltetrazol-2-yl)acetyl]piperidin-3-yl]propanoic acid?
The IUPAC name of 3-[(3R)-1-[2-(5-phenyltetrazol-2-yl)acetyl]piperidin-3-yl]propanoic acid (CID 124701783) is 3-[(3R)-1-[2-(5-phenyltetrazol-2-yl)acetyl]piperidin-3-yl]propanoic acid.
What is the SMILES notation for 3-[(3R)-1-[2-(5-phenyltetrazol-2-yl)acetyl]piperidin-3-yl]propanoic acid?
The canonical SMILES for 3-[(3R)-1-[2-(5-phenyltetrazol-2-yl)acetyl]piperidin-3-yl]propanoic acid is O=C(O)CC[C@H]1CCCN(C(=O)Cn2nnc(-c3ccccc3)n2)C1.
What is the InChIKey of 3-[(3R)-1-[2-(5-phenyltetrazol-2-yl)acetyl]piperidin-3-yl]propanoic acid?
The InChIKey is OYZAKAWGDGZYCQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H21N5O3/c23-15(21-10-4-5-13(11-21)8-9-16(24)25)12-22-19-17(18-20-22)14-6-2-1-3-7-14/h1-3,6-7,13H,4-5,8-12H2,(H,24,25)/t13-/m1/s1.
What are the key properties of 3-[(3R)-1-[2-(5-phenyltetrazol-2-yl)acetyl]piperidin-3-yl]propanoic acid?
3-[(3R)-1-[2-(5-phenyltetrazol-2-yl)acetyl]piperidin-3-yl]propanoic 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 3-[(3R)-1-[2-(5-phenyltetrazol-2-yl)acetyl]piperidin-3-yl]propanoic acid is sourced from PubChem (CID 124701783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).