1-piperidin-4-yl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pyrrolidine-2-carboxamide

C17H27N5O — CID 56759612

IUPAC1-piperidin-4-yl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1cnc2n1CCCC2)C1CCCN1C1CCNCC1
InChIInChI=1S/C17H27N5O/c23-17(20-16-12-19-15-5-1-2-10-22(15)16)14-4-3-11-21(14)13-6-8-18-9-7-13/h12-14,18H,1-11H2,(H,20,23)
InChIKeyNSWAEHYEIMSJMK-UHFFFAOYSA-N
MW317.44 g/mol
LogP1.37
Rot. Bonds3

About 1-piperidin-4-yl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pyrrolidine-2-carboxamide

1-piperidin-4-yl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pyrrolidine-2-carboxamide (PubChem CID 56759612) has the molecular formula C17H27N5O and a molecular weight of 317.44 g/mol. Its IUPAC name is 1-piperidin-4-yl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-piperidin-4-yl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pyrrolidine-2-carboxamide
PubChem CID56759612
Molecular FormulaC17H27N5O
Molecular Weight317.44 g/mol
Exact Mass317.22
IUPAC Name1-piperidin-4-yl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1cnc2n1CCCC2)C1CCCN1C1CCNCC1
InChIInChI=1S/C17H27N5O/c23-17(20-16-12-19-15-5-1-2-10-22(15)16)14-4-3-11-21(14)13-6-8-18-9-7-13/h12-14,18H,1-11H2,(H,20,23)
InChIKeyNSWAEHYEIMSJMK-UHFFFAOYSA-N
XLogP1.37
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-piperidin-4-yl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-piperidin-4-yl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pyrrolidine-2-carboxamide (CID 56759612) is 1-piperidin-4-yl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-piperidin-4-yl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-piperidin-4-yl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pyrrolidine-2-carboxamide is O=C(Nc1cnc2n1CCCC2)C1CCCN1C1CCNCC1.
What is the InChIKey of 1-piperidin-4-yl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pyrrolidine-2-carboxamide?
The InChIKey is NSWAEHYEIMSJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O/c23-17(20-16-12-19-15-5-1-2-10-22(15)16)14-4-3-11-21(14)13-6-8-18-9-7-13/h12-14,18H,1-11H2,(H,20,23).
What are the key properties of 1-piperidin-4-yl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pyrrolidine-2-carboxamide?
1-piperidin-4-yl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pyrrolidine-2-carboxamide has a molecular weight of 317.44 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-4-yl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 56759612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).