4-(1-tert-butylpiperidin-4-yl)-N-(imidazo[1,2-a]pyrazin-6-ylmethyl)benzamide

C23H29N5O — CID 90014548

IUPAC4-(1-tert-butylpiperidin-4-yl)-N-(imidazo[1,2-a]pyrazin-6-ylmethyl)benzamide
SMILESCC(C)(C)N1CCC(c2ccc(C(=O)NCc3cn4ccnc4cn3)cc2)CC1
InChIInChI=1S/C23H29N5O/c1-23(2,3)28-11-8-18(9-12-28)17-4-6-19(7-5-17)22(29)26-14-20-16-27-13-10-24-21(27)15-25-20/h4-7,10,13,15-16,18H,8-9,11-12,14H2,1-3H3,(H,26,29)
InChIKeyUZIFNOFLRMGWLY-UHFFFAOYSA-N
MW391.52 g/mol
LogP3.64
Rot. Bonds4

About 4-(1-tert-butylpiperidin-4-yl)-N-(imidazo[1,2-a]pyrazin-6-ylmethyl)benzamide

4-(1-tert-butylpiperidin-4-yl)-N-(imidazo[1,2-a]pyrazin-6-ylmethyl)benzamide (PubChem CID 90014548) has the molecular formula C23H29N5O and a molecular weight of 391.52 g/mol. Its IUPAC name is 4-(1-tert-butylpiperidin-4-yl)-N-(imidazo[1,2-a]pyrazin-6-ylmethyl)benzamide.

Molecular Properties

Compound Name4-(1-tert-butylpiperidin-4-yl)-N-(imidazo[1,2-a]pyrazin-6-ylmethyl)benzamide
PubChem CID90014548
Molecular FormulaC23H29N5O
Molecular Weight391.52 g/mol
Exact Mass391.24
IUPAC Name4-(1-tert-butylpiperidin-4-yl)-N-(imidazo[1,2-a]pyrazin-6-ylmethyl)benzamide
SMILESCC(C)(C)N1CCC(c2ccc(C(=O)NCc3cn4ccnc4cn3)cc2)CC1
InChIInChI=1S/C23H29N5O/c1-23(2,3)28-11-8-18(9-12-28)17-4-6-19(7-5-17)22(29)26-14-20-16-27-13-10-24-21(27)15-25-20/h4-7,10,13,15-16,18H,8-9,11-12,14H2,1-3H3,(H,26,29)
InChIKeyUZIFNOFLRMGWLY-UHFFFAOYSA-N
XLogP3.64
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1-tert-butylpiperidin-4-yl)-N-(imidazo[1,2-a]pyrazin-6-ylmethyl)benzamide?
The IUPAC name of 4-(1-tert-butylpiperidin-4-yl)-N-(imidazo[1,2-a]pyrazin-6-ylmethyl)benzamide (CID 90014548) is 4-(1-tert-butylpiperidin-4-yl)-N-(imidazo[1,2-a]pyrazin-6-ylmethyl)benzamide.
What is the SMILES notation for 4-(1-tert-butylpiperidin-4-yl)-N-(imidazo[1,2-a]pyrazin-6-ylmethyl)benzamide?
The canonical SMILES for 4-(1-tert-butylpiperidin-4-yl)-N-(imidazo[1,2-a]pyrazin-6-ylmethyl)benzamide is CC(C)(C)N1CCC(c2ccc(C(=O)NCc3cn4ccnc4cn3)cc2)CC1.
What is the InChIKey of 4-(1-tert-butylpiperidin-4-yl)-N-(imidazo[1,2-a]pyrazin-6-ylmethyl)benzamide?
The InChIKey is UZIFNOFLRMGWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O/c1-23(2,3)28-11-8-18(9-12-28)17-4-6-19(7-5-17)22(29)26-14-20-16-27-13-10-24-21(27)15-25-20/h4-7,10,13,15-16,18H,8-9,11-12,14H2,1-3H3,(H,26,29).
What are the key properties of 4-(1-tert-butylpiperidin-4-yl)-N-(imidazo[1,2-a]pyrazin-6-ylmethyl)benzamide?
4-(1-tert-butylpiperidin-4-yl)-N-(imidazo[1,2-a]pyrazin-6-ylmethyl)benzamide has a molecular weight of 391.52 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-tert-butylpiperidin-4-yl)-N-(imidazo[1,2-a]pyrazin-6-ylmethyl)benzamide is sourced from PubChem (CID 90014548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).