1-(2-amino-2-oxoethyl)-N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidine-4-carboxamide

C15H20N6O2 — CID 70747445

IUPAC1-(2-amino-2-oxoethyl)-N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidine-4-carboxamide
SMILESNC(=O)CN1CCC(C(=O)NCc2cn3cccnc3n2)CC1
InChIInChI=1S/C15H20N6O2/c16-13(22)10-20-6-2-11(3-7-20)14(23)18-8-12-9-21-5-1-4-17-15(21)19-12/h1,4-5,9,11H,2-3,6-8,10H2,(H2,16,22)(H,18,23)
InChIKeySRVIXJWBDOPBAA-UHFFFAOYSA-N
MW316.36 g/mol
LogP-0.46
Rot. Bonds5

About 1-(2-amino-2-oxoethyl)-N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidine-4-carboxamide

1-(2-amino-2-oxoethyl)-N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 70747445) has the molecular formula C15H20N6O2 and a molecular weight of 316.36 g/mol. Its IUPAC name is 1-(2-amino-2-oxoethyl)-N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-amino-2-oxoethyl)-N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidine-4-carboxamide
PubChem CID70747445
Molecular FormulaC15H20N6O2
Molecular Weight316.36 g/mol
Exact Mass316.16
IUPAC Name1-(2-amino-2-oxoethyl)-N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidine-4-carboxamide
SMILESNC(=O)CN1CCC(C(=O)NCc2cn3cccnc3n2)CC1
InChIInChI=1S/C15H20N6O2/c16-13(22)10-20-6-2-11(3-7-20)14(23)18-8-12-9-21-5-1-4-17-15(21)19-12/h1,4-5,9,11H,2-3,6-8,10H2,(H2,16,22)(H,18,23)
InChIKeySRVIXJWBDOPBAA-UHFFFAOYSA-N
XLogP-0.46
TPSA105.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-2-oxoethyl)-N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2-amino-2-oxoethyl)-N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidine-4-carboxamide (CID 70747445) is 1-(2-amino-2-oxoethyl)-N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-amino-2-oxoethyl)-N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2-amino-2-oxoethyl)-N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidine-4-carboxamide is NC(=O)CN1CCC(C(=O)NCc2cn3cccnc3n2)CC1.
What is the InChIKey of 1-(2-amino-2-oxoethyl)-N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is SRVIXJWBDOPBAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O2/c16-13(22)10-20-6-2-11(3-7-20)14(23)18-8-12-9-21-5-1-4-17-15(21)19-12/h1,4-5,9,11H,2-3,6-8,10H2,(H2,16,22)(H,18,23).
What are the key properties of 1-(2-amino-2-oxoethyl)-N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidine-4-carboxamide?
1-(2-amino-2-oxoethyl)-N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 316.36 g/mol, XLogP of -0.46, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-2-oxoethyl)-N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 70747445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).