1-[(1-butyltetrazol-5-yl)methyl]-3-methylpiperidine-3-carboxylic acid

C13H23N5O2 — CID 63137503

IUPAC1-[(1-butyltetrazol-5-yl)methyl]-3-methylpiperidine-3-carboxylic acid
SMILESCCCCn1nnnc1CN1CCCC(C)(C(=O)O)C1
InChIInChI=1S/C13H23N5O2/c1-3-4-8-18-11(14-15-16-18)9-17-7-5-6-13(2,10-17)12(19)20/h3-10H2,1-2H3,(H,19,20)
InChIKeyFYLSNMDOTZPIPG-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.16
Rot. Bonds6

About 1-[(1-butyltetrazol-5-yl)methyl]-3-methylpiperidine-3-carboxylic acid

1-[(1-butyltetrazol-5-yl)methyl]-3-methylpiperidine-3-carboxylic acid (PubChem CID 63137503) has the molecular formula C13H23N5O2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-[(1-butyltetrazol-5-yl)methyl]-3-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(1-butyltetrazol-5-yl)methyl]-3-methylpiperidine-3-carboxylic acid
PubChem CID63137503
Molecular FormulaC13H23N5O2
Molecular Weight281.36 g/mol
Exact Mass281.19
IUPAC Name1-[(1-butyltetrazol-5-yl)methyl]-3-methylpiperidine-3-carboxylic acid
SMILESCCCCn1nnnc1CN1CCCC(C)(C(=O)O)C1
InChIInChI=1S/C13H23N5O2/c1-3-4-8-18-11(14-15-16-18)9-17-7-5-6-13(2,10-17)12(19)20/h3-10H2,1-2H3,(H,19,20)
InChIKeyFYLSNMDOTZPIPG-UHFFFAOYSA-N
XLogP1.16
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[(1-butyltetrazol-5-yl)methyl]-3-methylpiperidine-3-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-[(1-butyltetrazol-5-yl)methyl]-3-methylpyrrolidine-3-carboxylic acid
CID 55167123
2-[4-[(1-butyltetrazol-5-yl)methyl]piperazin-1-yl]-N,N-diethylacetamide
CID 55462460
(3R)-1-ethyl-3-methylpiperidine-3-carboxylic acid
CID 26722586
1-[(1-butyltetrazol-5-yl)methyl]piperidine-4-carbaldehyde
CID 62655758
2-[1-[(1-butyltetrazol-5-yl)methylsulfanylmethyl]cyclopropyl]acetic acid
CID 65441929
1-butyl-4-methylpiperidine-4-carboxylic acid
CID 63124911
1-[[1-(2-hydroxyethyl)pyrazol-4-yl]methyl]-3-methylpiperidine-3-carboxylic acid
CID 65068621
1-(3-fluoropropyl)-3-methylpiperidine-3-carboxylic acid
CID 81113759
1-(3-ethoxypropyl)-3-methylpiperidine-3-carboxylic acid
CID 65180438
(2R,6S)-4-[(1-butyltetrazol-5-yl)methyl]-2,6-dimethylmorpholine
CID 94015004
1-[(2S)-2-[(2R)-1-[(1-butyltetrazol-5-yl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 95346528
3-[(1-butyltetrazol-5-yl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 51209114

Frequently Asked Questions

What is the IUPAC name of 1-[(1-butyltetrazol-5-yl)methyl]-3-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[(1-butyltetrazol-5-yl)methyl]-3-methylpiperidine-3-carboxylic acid (CID 63137503) is 1-[(1-butyltetrazol-5-yl)methyl]-3-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(1-butyltetrazol-5-yl)methyl]-3-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[(1-butyltetrazol-5-yl)methyl]-3-methylpiperidine-3-carboxylic acid is CCCCn1nnnc1CN1CCCC(C)(C(=O)O)C1.
What is the InChIKey of 1-[(1-butyltetrazol-5-yl)methyl]-3-methylpiperidine-3-carboxylic acid?
The InChIKey is FYLSNMDOTZPIPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O2/c1-3-4-8-18-11(14-15-16-18)9-17-7-5-6-13(2,10-17)12(19)20/h3-10H2,1-2H3,(H,19,20).
What are the key properties of 1-[(1-butyltetrazol-5-yl)methyl]-3-methylpiperidine-3-carboxylic acid?
1-[(1-butyltetrazol-5-yl)methyl]-3-methylpiperidine-3-carboxylic acid has a molecular weight of 281.36 g/mol, XLogP of 1.16, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-butyltetrazol-5-yl)methyl]-3-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 63137503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).