1-[2-(diethylamino)-2-oxoethyl]-N-[(1-piperidin-1-ylcyclopentyl)methyl]triazole-4-carboxamide

C20H34N6O2 — CID 42240965

IUPAC1-[2-(diethylamino)-2-oxoethyl]-N-[(1-piperidin-1-ylcyclopentyl)methyl]triazole-4-carboxamide
SMILESCCN(CC)C(=O)Cn1cc(C(=O)NCC2(N3CCCCC3)CCCC2)nn1
InChIInChI=1S/C20H34N6O2/c1-3-24(4-2)18(27)15-26-14-17(22-23-26)19(28)21-16-20(10-6-7-11-20)25-12-8-5-9-13-25/h14H,3-13,15-16H2,1-2H3,(H,21,28)
InChIKeyNMCCTJNOYJGFGD-UHFFFAOYSA-N
MW390.53 g/mol
LogP1.67
Rot. Bonds8

About 1-[2-(diethylamino)-2-oxoethyl]-N-[(1-piperidin-1-ylcyclopentyl)methyl]triazole-4-carboxamide

1-[2-(diethylamino)-2-oxoethyl]-N-[(1-piperidin-1-ylcyclopentyl)methyl]triazole-4-carboxamide (PubChem CID 42240965) has the molecular formula C20H34N6O2 and a molecular weight of 390.53 g/mol. Its IUPAC name is 1-[2-(diethylamino)-2-oxoethyl]-N-[(1-piperidin-1-ylcyclopentyl)methyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-[2-(diethylamino)-2-oxoethyl]-N-[(1-piperidin-1-ylcyclopentyl)methyl]triazole-4-carboxamide
PubChem CID42240965
Molecular FormulaC20H34N6O2
Molecular Weight390.53 g/mol
Exact Mass390.27
IUPAC Name1-[2-(diethylamino)-2-oxoethyl]-N-[(1-piperidin-1-ylcyclopentyl)methyl]triazole-4-carboxamide
SMILESCCN(CC)C(=O)Cn1cc(C(=O)NCC2(N3CCCCC3)CCCC2)nn1
InChIInChI=1S/C20H34N6O2/c1-3-24(4-2)18(27)15-26-14-17(22-23-26)19(28)21-16-20(10-6-7-11-20)25-12-8-5-9-13-25/h14H,3-13,15-16H2,1-2H3,(H,21,28)
InChIKeyNMCCTJNOYJGFGD-UHFFFAOYSA-N
XLogP1.67
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(diethylamino)-2-oxoethyl]-N-[(1-piperidin-1-ylcyclopentyl)methyl]triazole-4-carboxamide?
The IUPAC name of 1-[2-(diethylamino)-2-oxoethyl]-N-[(1-piperidin-1-ylcyclopentyl)methyl]triazole-4-carboxamide (CID 42240965) is 1-[2-(diethylamino)-2-oxoethyl]-N-[(1-piperidin-1-ylcyclopentyl)methyl]triazole-4-carboxamide.
What is the SMILES notation for 1-[2-(diethylamino)-2-oxoethyl]-N-[(1-piperidin-1-ylcyclopentyl)methyl]triazole-4-carboxamide?
The canonical SMILES for 1-[2-(diethylamino)-2-oxoethyl]-N-[(1-piperidin-1-ylcyclopentyl)methyl]triazole-4-carboxamide is CCN(CC)C(=O)Cn1cc(C(=O)NCC2(N3CCCCC3)CCCC2)nn1.
What is the InChIKey of 1-[2-(diethylamino)-2-oxoethyl]-N-[(1-piperidin-1-ylcyclopentyl)methyl]triazole-4-carboxamide?
The InChIKey is NMCCTJNOYJGFGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N6O2/c1-3-24(4-2)18(27)15-26-14-17(22-23-26)19(28)21-16-20(10-6-7-11-20)25-12-8-5-9-13-25/h14H,3-13,15-16H2,1-2H3,(H,21,28).
What are the key properties of 1-[2-(diethylamino)-2-oxoethyl]-N-[(1-piperidin-1-ylcyclopentyl)methyl]triazole-4-carboxamide?
1-[2-(diethylamino)-2-oxoethyl]-N-[(1-piperidin-1-ylcyclopentyl)methyl]triazole-4-carboxamide has a molecular weight of 390.53 g/mol, XLogP of 1.67, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(diethylamino)-2-oxoethyl]-N-[(1-piperidin-1-ylcyclopentyl)methyl]triazole-4-carboxamide is sourced from PubChem (CID 42240965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).