[(3R)-3-[[4-(aminomethyl)triazol-1-yl]methyl]piperidin-1-yl]-(2-methyl-1-benzofuran-5-yl)methanone

C19H23N5O2 — CID 31192928

IUPAC[(3R)-3-[[4-(aminomethyl)triazol-1-yl]methyl]piperidin-1-yl]-(2-methyl-1-benzofuran-5-yl)methanone
SMILESCc1cc2cc(C(=O)N3CCC[C@@H](Cn4cc(CN)nn4)C3)ccc2o1
InChIInChI=1S/C19H23N5O2/c1-13-7-16-8-15(4-5-18(16)26-13)19(25)23-6-2-3-14(10-23)11-24-12-17(9-20)21-22-24/h4-5,7-8,12,14H,2-3,6,9-11,20H2,1H3/t14-/m1/s1
InChIKeyNMQOAWQQNLQTEA-CQSZACIVSA-N
MW353.43 g/mol
LogP2.34
Rot. Bonds4

About [(3R)-3-[[4-(aminomethyl)triazol-1-yl]methyl]piperidin-1-yl]-(2-methyl-1-benzofuran-5-yl)methanone

[(3R)-3-[[4-(aminomethyl)triazol-1-yl]methyl]piperidin-1-yl]-(2-methyl-1-benzofuran-5-yl)methanone (PubChem CID 31192928) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is [(3R)-3-[[4-(aminomethyl)triazol-1-yl]methyl]piperidin-1-yl]-(2-methyl-1-benzofuran-5-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-[[4-(aminomethyl)triazol-1-yl]methyl]piperidin-1-yl]-(2-methyl-1-benzofuran-5-yl)methanone
PubChem CID31192928
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name[(3R)-3-[[4-(aminomethyl)triazol-1-yl]methyl]piperidin-1-yl]-(2-methyl-1-benzofuran-5-yl)methanone
SMILESCc1cc2cc(C(=O)N3CCC[C@@H](Cn4cc(CN)nn4)C3)ccc2o1
InChIInChI=1S/C19H23N5O2/c1-13-7-16-8-15(4-5-18(16)26-13)19(25)23-6-2-3-14(10-23)11-24-12-17(9-20)21-22-24/h4-5,7-8,12,14H,2-3,6,9-11,20H2,1H3/t14-/m1/s1
InChIKeyNMQOAWQQNLQTEA-CQSZACIVSA-N
XLogP2.34
TPSA90.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(3R)-3-[[4-(aminomethyl)triazol-1-yl]methyl]piperidin-1-yl]-(2-methyl-1-benzofuran-5-yl)methanone with MolForge

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Related Compounds

1-[(3R)-3-[[4-(aminomethyl)triazol-1-yl]methyl]piperidin-1-yl]ethanone
CID 129495083
[3-[[4-(aminomethyl)triazol-1-yl]methyl]piperidin-1-yl]-[5-(3-methylphenyl)furan-2-yl]methanone
CID 45192228
(E)-1-[(3R)-3-[[4-(aminomethyl)triazol-1-yl]methyl]piperidin-1-yl]-3-(5-methyl-1,2-oxazol-3-yl)prop-2-en-1-one
CID 138624381
[(3S)-3-[[4-(aminomethyl)triazol-1-yl]methyl]piperidin-1-yl]-(1-methylimidazol-2-yl)methanone
CID 31053519
1-[(3R)-3-[[4-(aminomethyl)triazol-1-yl]methyl]piperidin-1-yl]-3-(2-methylphenyl)propan-1-one
CID 31107020
1-[[(3R)-1-(2-methyl-1,3-benzothiazole-6-carbonyl)piperidin-3-yl]methyl]triazole-4-carboxylic acid
CID 95206656
(2-methyl-1-benzofuran-5-yl)-[3-(pyridin-2-ylmethoxy)piperidin-1-yl]methanone
CID 72939536
N-(4-methoxy-2-methylphenyl)-3-[(3S)-1-(2-methyl-1-benzofuran-5-carbonyl)piperidin-3-yl]propanamide
CID 26399957
6-[(3S)-1-(2-methyl-1-benzofuran-5-carbonyl)piperidin-3-yl]-1H-pyrimidin-2-one
CID 124942458
[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-(2-methyl-1-benzofuran-5-yl)methanone
CID 110259339
(2-methyl-1-benzofuran-5-yl)-[3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone
CID 72864618
[3-[[4-(2-methylpropyl)triazol-1-yl]methyl]piperidin-1-yl]-pyrimidin-5-ylmethanone
CID 46995345

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[[4-(aminomethyl)triazol-1-yl]methyl]piperidin-1-yl]-(2-methyl-1-benzofuran-5-yl)methanone?
The IUPAC name of [(3R)-3-[[4-(aminomethyl)triazol-1-yl]methyl]piperidin-1-yl]-(2-methyl-1-benzofuran-5-yl)methanone (CID 31192928) is [(3R)-3-[[4-(aminomethyl)triazol-1-yl]methyl]piperidin-1-yl]-(2-methyl-1-benzofuran-5-yl)methanone.
What is the SMILES notation for [(3R)-3-[[4-(aminomethyl)triazol-1-yl]methyl]piperidin-1-yl]-(2-methyl-1-benzofuran-5-yl)methanone?
The canonical SMILES for [(3R)-3-[[4-(aminomethyl)triazol-1-yl]methyl]piperidin-1-yl]-(2-methyl-1-benzofuran-5-yl)methanone is Cc1cc2cc(C(=O)N3CCC[C@@H](Cn4cc(CN)nn4)C3)ccc2o1.
What is the InChIKey of [(3R)-3-[[4-(aminomethyl)triazol-1-yl]methyl]piperidin-1-yl]-(2-methyl-1-benzofuran-5-yl)methanone?
The InChIKey is NMQOAWQQNLQTEA-CQSZACIVSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-13-7-16-8-15(4-5-18(16)26-13)19(25)23-6-2-3-14(10-23)11-24-12-17(9-20)21-22-24/h4-5,7-8,12,14H,2-3,6,9-11,20H2,1H3/t14-/m1/s1.
What are the key properties of [(3R)-3-[[4-(aminomethyl)triazol-1-yl]methyl]piperidin-1-yl]-(2-methyl-1-benzofuran-5-yl)methanone?
[(3R)-3-[[4-(aminomethyl)triazol-1-yl]methyl]piperidin-1-yl]-(2-methyl-1-benzofuran-5-yl)methanone has a molecular weight of 353.43 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[[4-(aminomethyl)triazol-1-yl]methyl]piperidin-1-yl]-(2-methyl-1-benzofuran-5-yl)methanone is sourced from PubChem (CID 31192928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).