1-[(2S)-oxolane-2-carbonyl]-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)piperidine-4-carboxamide

C18H26N4O3 — CID 95188018

IUPAC1-[(2S)-oxolane-2-carbonyl]-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)piperidine-4-carboxamide
SMILESO=C(Nc1cnc2n1CCCC2)C1CCN(C(=O)[C@@H]2CCCO2)CC1
InChIInChI=1S/C18H26N4O3/c23-17(20-16-12-19-15-5-1-2-8-22(15)16)13-6-9-21(10-7-13)18(24)14-4-3-11-25-14/h12-14H,1-11H2,(H,20,23)/t14-/m0/s1
InChIKeyNJQYCYQCHHCJOZ-AWEZNQCLSA-N
MW346.43 g/mol
LogP1.58
Rot. Bonds3

About 1-[(2S)-oxolane-2-carbonyl]-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)piperidine-4-carboxamide

1-[(2S)-oxolane-2-carbonyl]-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)piperidine-4-carboxamide (PubChem CID 95188018) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is 1-[(2S)-oxolane-2-carbonyl]-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2S)-oxolane-2-carbonyl]-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)piperidine-4-carboxamide
PubChem CID95188018
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Name1-[(2S)-oxolane-2-carbonyl]-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)piperidine-4-carboxamide
SMILESO=C(Nc1cnc2n1CCCC2)C1CCN(C(=O)[C@@H]2CCCO2)CC1
InChIInChI=1S/C18H26N4O3/c23-17(20-16-12-19-15-5-1-2-8-22(15)16)13-6-9-21(10-7-13)18(24)14-4-3-11-25-14/h12-14H,1-11H2,(H,20,23)/t14-/m0/s1
InChIKeyNJQYCYQCHHCJOZ-AWEZNQCLSA-N
XLogP1.58
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-oxolane-2-carbonyl]-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)piperidine-4-carboxamide?
The IUPAC name of 1-[(2S)-oxolane-2-carbonyl]-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)piperidine-4-carboxamide (CID 95188018) is 1-[(2S)-oxolane-2-carbonyl]-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(2S)-oxolane-2-carbonyl]-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-[(2S)-oxolane-2-carbonyl]-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)piperidine-4-carboxamide is O=C(Nc1cnc2n1CCCC2)C1CCN(C(=O)[C@@H]2CCCO2)CC1.
What is the InChIKey of 1-[(2S)-oxolane-2-carbonyl]-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)piperidine-4-carboxamide?
The InChIKey is NJQYCYQCHHCJOZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H26N4O3/c23-17(20-16-12-19-15-5-1-2-8-22(15)16)13-6-9-21(10-7-13)18(24)14-4-3-11-25-14/h12-14H,1-11H2,(H,20,23)/t14-/m0/s1.
What are the key properties of 1-[(2S)-oxolane-2-carbonyl]-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)piperidine-4-carboxamide?
1-[(2S)-oxolane-2-carbonyl]-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)piperidine-4-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-oxolane-2-carbonyl]-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 95188018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).