3-(cyclopropylmethyl)-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxylic acid

C15H24N4O2 — CID 72875321

IUPAC3-(cyclopropylmethyl)-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxylic acid
SMILESCCn1ncnc1CN1CCCC(CC2CC2)(C(=O)O)C1
InChIInChI=1S/C15H24N4O2/c1-2-19-13(16-11-17-19)9-18-7-3-6-15(10-18,14(20)21)8-12-4-5-12/h11-12H,2-10H2,1H3,(H,20,21)
InChIKeyBRTYGYIUKZLZDA-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.76
Rot. Bonds6

About 3-(cyclopropylmethyl)-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxylic acid

3-(cyclopropylmethyl)-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxylic acid (PubChem CID 72875321) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-(cyclopropylmethyl)-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-(cyclopropylmethyl)-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxylic acid
PubChem CID72875321
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name3-(cyclopropylmethyl)-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxylic acid
SMILESCCn1ncnc1CN1CCCC(CC2CC2)(C(=O)O)C1
InChIInChI=1S/C15H24N4O2/c1-2-19-13(16-11-17-19)9-18-7-3-6-15(10-18,14(20)21)8-12-4-5-12/h11-12H,2-10H2,1H3,(H,20,21)
InChIKeyBRTYGYIUKZLZDA-UHFFFAOYSA-N
XLogP1.76
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-3-(cyclopropylmethyl)-1-(thiophen-2-ylmethyl)piperidine-3-carboxylic acid
CID 97150633
(3R)-1-[(2-amino-3-pyridinyl)methyl]-3-(cyclopropylmethyl)piperidine-3-carboxylic acid
CID 97119136
(3R)-1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3-(cyclopropylmethyl)piperidine-3-carboxylic acid
CID 97133834
3-(bromomethyl)-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidine
CID 80679311
(3R)-3-(cyclopropylmethyl)-1-(3-methylsulfanylpropyl)piperidine-3-carboxylic acid
CID 97120831
(5R)-9-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 99927907
9-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 77080100
(5R)-2-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-7-propan-2-yl-2,7-diazaspiro[4.5]decan-6-one
CID 97113837
5-[[(3S)-3-(cyclopentylmethyl)pyrrolidin-1-yl]methyl]-1-ethyl-1,2,4-triazole
CID 100699656
(4S)-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-phenylazepane
CID 99838451
1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-methylpiperidin-4-ol
CID 114502580
1-[[(3S)-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]methyl]-4-methylpiperazine
CID 99929588

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethyl)-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxylic acid?
The IUPAC name of 3-(cyclopropylmethyl)-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxylic acid (CID 72875321) is 3-(cyclopropylmethyl)-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 3-(cyclopropylmethyl)-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxylic acid?
The canonical SMILES for 3-(cyclopropylmethyl)-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxylic acid is CCn1ncnc1CN1CCCC(CC2CC2)(C(=O)O)C1.
What is the InChIKey of 3-(cyclopropylmethyl)-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxylic acid?
The InChIKey is BRTYGYIUKZLZDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-2-19-13(16-11-17-19)9-18-7-3-6-15(10-18,14(20)21)8-12-4-5-12/h11-12H,2-10H2,1H3,(H,20,21).
What are the key properties of 3-(cyclopropylmethyl)-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxylic acid?
3-(cyclopropylmethyl)-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxylic acid has a molecular weight of 292.38 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethyl)-1-[(2-ethyl-1,2,4-triazol-3-yl)methyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 72875321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).