N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-1-(2-piperidin-1-ylethyl)triazole-4-carboxamide

C20H27N5O2 — CID 42363556

IUPACN-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-1-(2-piperidin-1-ylethyl)triazole-4-carboxamide
SMILESO=C(NC[C@H]1CCc2ccccc2O1)c1cn(CCN2CCCCC2)nn1
InChIInChI=1S/C20H27N5O2/c26-20(21-14-17-9-8-16-6-2-3-7-19(16)27-17)18-15-25(23-22-18)13-12-24-10-4-1-5-11-24/h2-3,6-7,15,17H,1,4-5,8-14H2,(H,21,26)/t17-/m1/s1
InChIKeyYKRROHXQGLUBCS-QGZVFWFLSA-N
MW369.47 g/mol
LogP1.89
Rot. Bonds6

About N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-1-(2-piperidin-1-ylethyl)triazole-4-carboxamide

N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-1-(2-piperidin-1-ylethyl)triazole-4-carboxamide (PubChem CID 42363556) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-1-(2-piperidin-1-ylethyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-1-(2-piperidin-1-ylethyl)triazole-4-carboxamide
PubChem CID42363556
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC NameN-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-1-(2-piperidin-1-ylethyl)triazole-4-carboxamide
SMILESO=C(NC[C@H]1CCc2ccccc2O1)c1cn(CCN2CCCCC2)nn1
InChIInChI=1S/C20H27N5O2/c26-20(21-14-17-9-8-16-6-2-3-7-19(16)27-17)18-15-25(23-22-18)13-12-24-10-4-1-5-11-24/h2-3,6-7,15,17H,1,4-5,8-14H2,(H,21,26)/t17-/m1/s1
InChIKeyYKRROHXQGLUBCS-QGZVFWFLSA-N
XLogP1.89
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(2-methylphenyl)methyl]-N-(2-piperidin-1-ylethyl)triazole-4-carboxamide
CID 26395239
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N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 70739570
N-[(2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)methyl]-1-(2-piperazin-1-ylethyl)triazole-4-carboxamide
CID 70787493
methyl (2S)-3-phenyl-2-[[1-(2-piperidin-1-ylethyl)triazole-4-carbonyl]amino]propanoate
CID 25366336
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CID 45214018
N-[2-(1-phenylpyrazol-4-yl)ethyl]-1-(2-piperidin-1-ylethyl)triazole-4-carboxamide
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CID 74243443
N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide
CID 77082448
N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide
CID 74241623
1-[2-(4-methyl-1,4-diazepan-1-yl)ethyl]triazole-4-carbohydrazide
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N-[1-(4-fluorophenyl)propyl]-1-(2-piperidin-1-ylethyl)triazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-1-(2-piperidin-1-ylethyl)triazole-4-carboxamide?
The IUPAC name of N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-1-(2-piperidin-1-ylethyl)triazole-4-carboxamide (CID 42363556) is N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-1-(2-piperidin-1-ylethyl)triazole-4-carboxamide.
What is the SMILES notation for N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-1-(2-piperidin-1-ylethyl)triazole-4-carboxamide?
The canonical SMILES for N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-1-(2-piperidin-1-ylethyl)triazole-4-carboxamide is O=C(NC[C@H]1CCc2ccccc2O1)c1cn(CCN2CCCCC2)nn1.
What is the InChIKey of N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-1-(2-piperidin-1-ylethyl)triazole-4-carboxamide?
The InChIKey is YKRROHXQGLUBCS-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H27N5O2/c26-20(21-14-17-9-8-16-6-2-3-7-19(16)27-17)18-15-25(23-22-18)13-12-24-10-4-1-5-11-24/h2-3,6-7,15,17H,1,4-5,8-14H2,(H,21,26)/t17-/m1/s1.
What are the key properties of N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-1-(2-piperidin-1-ylethyl)triazole-4-carboxamide?
N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-1-(2-piperidin-1-ylethyl)triazole-4-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-1-(2-piperidin-1-ylethyl)triazole-4-carboxamide is sourced from PubChem (CID 42363556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).