2-(benzotriazol-1-yl)-N-(oxolan-3-ylmethyl)-N-(4-piperidin-4-ylphenyl)acetamide

C24H29N5O2 — CID 156907170

IUPAC2-(benzotriazol-1-yl)-N-(oxolan-3-ylmethyl)-N-(4-piperidin-4-ylphenyl)acetamide
SMILESO=C(Cn1nnc2ccccc21)N(CC1CCOC1)c1ccc(C2CCNCC2)cc1
InChIInChI=1S/C24H29N5O2/c30-24(16-29-23-4-2-1-3-22(23)26-27-29)28(15-18-11-14-31-17-18)21-7-5-19(6-8-21)20-9-12-25-13-10-20/h1-8,18,20,25H,9-17H2
InChIKeyLMMWTTCCOPOMID-UHFFFAOYSA-N
MW419.53 g/mol
LogP2.97
Rot. Bonds6

About 2-(benzotriazol-1-yl)-N-(oxolan-3-ylmethyl)-N-(4-piperidin-4-ylphenyl)acetamide

2-(benzotriazol-1-yl)-N-(oxolan-3-ylmethyl)-N-(4-piperidin-4-ylphenyl)acetamide (PubChem CID 156907170) has the molecular formula C24H29N5O2 and a molecular weight of 419.53 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-N-(oxolan-3-ylmethyl)-N-(4-piperidin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-N-(oxolan-3-ylmethyl)-N-(4-piperidin-4-ylphenyl)acetamide
PubChem CID156907170
Molecular FormulaC24H29N5O2
Molecular Weight419.53 g/mol
Exact Mass419.23
IUPAC Name2-(benzotriazol-1-yl)-N-(oxolan-3-ylmethyl)-N-(4-piperidin-4-ylphenyl)acetamide
SMILESO=C(Cn1nnc2ccccc21)N(CC1CCOC1)c1ccc(C2CCNCC2)cc1
InChIInChI=1S/C24H29N5O2/c30-24(16-29-23-4-2-1-3-22(23)26-27-29)28(15-18-11-14-31-17-18)21-7-5-19(6-8-21)20-9-12-25-13-10-20/h1-8,18,20,25H,9-17H2
InChIKeyLMMWTTCCOPOMID-UHFFFAOYSA-N
XLogP2.97
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)-N-(oxolan-3-ylmethyl)-N-(4-piperidin-4-ylphenyl)acetamide?
The IUPAC name of 2-(benzotriazol-1-yl)-N-(oxolan-3-ylmethyl)-N-(4-piperidin-4-ylphenyl)acetamide (CID 156907170) is 2-(benzotriazol-1-yl)-N-(oxolan-3-ylmethyl)-N-(4-piperidin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-(benzotriazol-1-yl)-N-(oxolan-3-ylmethyl)-N-(4-piperidin-4-ylphenyl)acetamide?
The canonical SMILES for 2-(benzotriazol-1-yl)-N-(oxolan-3-ylmethyl)-N-(4-piperidin-4-ylphenyl)acetamide is O=C(Cn1nnc2ccccc21)N(CC1CCOC1)c1ccc(C2CCNCC2)cc1.
What is the InChIKey of 2-(benzotriazol-1-yl)-N-(oxolan-3-ylmethyl)-N-(4-piperidin-4-ylphenyl)acetamide?
The InChIKey is LMMWTTCCOPOMID-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O2/c30-24(16-29-23-4-2-1-3-22(23)26-27-29)28(15-18-11-14-31-17-18)21-7-5-19(6-8-21)20-9-12-25-13-10-20/h1-8,18,20,25H,9-17H2.
What are the key properties of 2-(benzotriazol-1-yl)-N-(oxolan-3-ylmethyl)-N-(4-piperidin-4-ylphenyl)acetamide?
2-(benzotriazol-1-yl)-N-(oxolan-3-ylmethyl)-N-(4-piperidin-4-ylphenyl)acetamide has a molecular weight of 419.53 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yl)-N-(oxolan-3-ylmethyl)-N-(4-piperidin-4-ylphenyl)acetamide is sourced from PubChem (CID 156907170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).