4-(5-piperidin-3-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)benzamide

C18H23N5O — CID 91760550

IUPAC4-(5-piperidin-3-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)benzamide
SMILESNC(=O)c1ccc(-c2nc3c([nH]2)CN(C2CCCNC2)CC3)cc1
InChIInChI=1S/C18H23N5O/c19-17(24)12-3-5-13(6-4-12)18-21-15-7-9-23(11-16(15)22-18)14-2-1-8-20-10-14/h3-6,14,20H,1-2,7-11H2,(H2,19,24)(H,21,22)
InChIKeyNXESCDQALBXOPS-UHFFFAOYSA-N
MW325.42 g/mol
LogP1.29
Rot. Bonds3

About 4-(5-piperidin-3-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)benzamide

4-(5-piperidin-3-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)benzamide (PubChem CID 91760550) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is 4-(5-piperidin-3-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)benzamide.

Molecular Properties

Compound Name4-(5-piperidin-3-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)benzamide
PubChem CID91760550
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name4-(5-piperidin-3-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)benzamide
SMILESNC(=O)c1ccc(-c2nc3c([nH]2)CN(C2CCCNC2)CC3)cc1
InChIInChI=1S/C18H23N5O/c19-17(24)12-3-5-13(6-4-12)18-21-15-7-9-23(11-16(15)22-18)14-2-1-8-20-10-14/h3-6,14,20H,1-2,7-11H2,(H2,19,24)(H,21,22)
InChIKeyNXESCDQALBXOPS-UHFFFAOYSA-N
XLogP1.29
TPSA87.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-piperidin-3-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)benzamide?
The IUPAC name of 4-(5-piperidin-3-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)benzamide (CID 91760550) is 4-(5-piperidin-3-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)benzamide.
What is the SMILES notation for 4-(5-piperidin-3-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)benzamide?
The canonical SMILES for 4-(5-piperidin-3-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)benzamide is NC(=O)c1ccc(-c2nc3c([nH]2)CN(C2CCCNC2)CC3)cc1.
What is the InChIKey of 4-(5-piperidin-3-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)benzamide?
The InChIKey is NXESCDQALBXOPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c19-17(24)12-3-5-13(6-4-12)18-21-15-7-9-23(11-16(15)22-18)14-2-1-8-20-10-14/h3-6,14,20H,1-2,7-11H2,(H2,19,24)(H,21,22).
What are the key properties of 4-(5-piperidin-3-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)benzamide?
4-(5-piperidin-3-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)benzamide has a molecular weight of 325.42 g/mol, XLogP of 1.29, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-piperidin-3-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)benzamide is sourced from PubChem (CID 91760550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).