1-(2,1,3-benzoxadiazol-4-ylmethyl)-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid

C19H23N5O3 — CID 70760438

IUPAC1-(2,1,3-benzoxadiazol-4-ylmethyl)-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid
SMILESCC(C)c1ccn(C2(C(=O)O)CCN(Cc3cccc4nonc34)CC2)n1
InChIInChI=1S/C19H23N5O3/c1-13(2)15-6-9-24(20-15)19(18(25)26)7-10-23(11-8-19)12-14-4-3-5-16-17(14)22-27-21-16/h3-6,9,13H,7-8,10-12H2,1-2H3,(H,25,26)
InChIKeyLCRPFAJYIGQEPP-UHFFFAOYSA-N
MW369.43 g/mol
LogP2.62
Rot. Bonds5

About 1-(2,1,3-benzoxadiazol-4-ylmethyl)-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid

1-(2,1,3-benzoxadiazol-4-ylmethyl)-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid (PubChem CID 70760438) has the molecular formula C19H23N5O3 and a molecular weight of 369.43 g/mol. Its IUPAC name is 1-(2,1,3-benzoxadiazol-4-ylmethyl)-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(2,1,3-benzoxadiazol-4-ylmethyl)-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid
PubChem CID70760438
Molecular FormulaC19H23N5O3
Molecular Weight369.43 g/mol
Exact Mass369.18
IUPAC Name1-(2,1,3-benzoxadiazol-4-ylmethyl)-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid
SMILESCC(C)c1ccn(C2(C(=O)O)CCN(Cc3cccc4nonc34)CC2)n1
InChIInChI=1S/C19H23N5O3/c1-13(2)15-6-9-24(20-15)19(18(25)26)7-10-23(11-8-19)12-14-4-3-5-16-17(14)22-27-21-16/h3-6,9,13H,7-8,10-12H2,1-2H3,(H,25,26)
InChIKeyLCRPFAJYIGQEPP-UHFFFAOYSA-N
XLogP2.62
TPSA97.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-(2,1,3-benzoxadiazol-4-ylmethyl)-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(4-fluorophenyl)methyl]-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid
CID 56895010
1-(morpholine-4-carbonyl)-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid
CID 56891386
8-(2,1,3-benzoxadiazol-4-ylmethyl)-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 72872853
8-(2,1,3-benzoxadiazol-4-ylmethyl)-2-(dimethylamino)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 74244458
8-(2,1,3-benzoxadiazol-4-ylmethyl)-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70723568
(3aR,6aR)-5-acetyl-2-(2,1,3-benzoxadiazol-4-ylmethyl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-3a-carboxylic acid
CID 50949880
4-(3-propan-2-ylpyrazol-1-yl)-1-(1,3-thiazole-4-carbonyl)piperidine-4-carboxylic acid
CID 56883218
1-(4-aminopyrimidin-2-yl)-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid
CID 56908938
4-[[(4R)-4-methylazocan-1-yl]methyl]-2,1,3-benzoxadiazole
CID 70887571
4-[[4-[(1R)-1-(3-methoxyphenyl)ethyl]piperazin-1-yl]methyl]-2,1,3-benzoxadiazole
CID 124885455
4-[(4-pyrrolidin-1-ylsulfonyl-1,4-diazepan-1-yl)methyl]-2,1,3-benzoxadiazole
CID 74230653
[4-(2,1,3-benzoxadiazol-4-ylmethyl)-1,4-diazepan-1-yl]-(furan-2-yl)methanone
CID 131947699

Frequently Asked Questions

What is the IUPAC name of 1-(2,1,3-benzoxadiazol-4-ylmethyl)-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(2,1,3-benzoxadiazol-4-ylmethyl)-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid (CID 70760438) is 1-(2,1,3-benzoxadiazol-4-ylmethyl)-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(2,1,3-benzoxadiazol-4-ylmethyl)-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(2,1,3-benzoxadiazol-4-ylmethyl)-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid is CC(C)c1ccn(C2(C(=O)O)CCN(Cc3cccc4nonc34)CC2)n1.
What is the InChIKey of 1-(2,1,3-benzoxadiazol-4-ylmethyl)-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid?
The InChIKey is LCRPFAJYIGQEPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O3/c1-13(2)15-6-9-24(20-15)19(18(25)26)7-10-23(11-8-19)12-14-4-3-5-16-17(14)22-27-21-16/h3-6,9,13H,7-8,10-12H2,1-2H3,(H,25,26).
What are the key properties of 1-(2,1,3-benzoxadiazol-4-ylmethyl)-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid?
1-(2,1,3-benzoxadiazol-4-ylmethyl)-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid has a molecular weight of 369.43 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,1,3-benzoxadiazol-4-ylmethyl)-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 70760438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).