N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)-1-propan-2-ylpiperidine-4-carboxamide

C18H27N5O — CID 72854333

IUPACN-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)-1-propan-2-ylpiperidine-4-carboxamide
SMILESCCC(NC(=O)C1CCN(C(C)C)CC1)c1cn2cccnc2n1
InChIInChI=1S/C18H27N5O/c1-4-15(16-12-23-9-5-8-19-18(23)21-16)20-17(24)14-6-10-22(11-7-14)13(2)3/h5,8-9,12-15H,4,6-7,10-11H2,1-3H3,(H,20,24)
InChIKeyPPOMJYXCDTVFRM-UHFFFAOYSA-N
MW329.45 g/mol
LogP2.42
Rot. Bonds5

About N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)-1-propan-2-ylpiperidine-4-carboxamide

N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)-1-propan-2-ylpiperidine-4-carboxamide (PubChem CID 72854333) has the molecular formula C18H27N5O and a molecular weight of 329.45 g/mol. Its IUPAC name is N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)-1-propan-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)-1-propan-2-ylpiperidine-4-carboxamide
PubChem CID72854333
Molecular FormulaC18H27N5O
Molecular Weight329.45 g/mol
Exact Mass329.22
IUPAC NameN-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)-1-propan-2-ylpiperidine-4-carboxamide
SMILESCCC(NC(=O)C1CCN(C(C)C)CC1)c1cn2cccnc2n1
InChIInChI=1S/C18H27N5O/c1-4-15(16-12-23-9-5-8-19-18(23)21-16)20-17(24)14-6-10-22(11-7-14)13(2)3/h5,8-9,12-15H,4,6-7,10-11H2,1-3H3,(H,20,24)
InChIKeyPPOMJYXCDTVFRM-UHFFFAOYSA-N
XLogP2.42
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-((1H-imidazol-4-yl)methyl)-N-(pyrimidin-2-yl)piperidine-1-carboxamide
CID 44408110
US10906888, Example 125
CID 139580330
US10906888, Example 114
CID 139580383
1-(3-Imidazol-1-ylpiperidin-1-yl)-4-(pyrimidin-2-ylamino)butan-1-one
CID 53618214
1-[3-(2-Methylimidazol-1-yl)piperidin-1-yl]-4-(pyrimidin-2-ylamino)butan-1-one
CID 53618282
1-(6-(1H-imidazol-1-yl)pyrimidin-4-yl)-N-cyclopentylpiperidine-4-carboxamide
CID 56764916
1-[3-(2-Ethylimidazol-1-yl)piperidin-1-yl]-4-(pyrimidin-2-ylamino)butan-1-one
CID 56779752
1-tert-butyl-N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-5-oxo-3-pyrrolidinecarboxamide
CID 70742805
N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)-4-(1-piperidinyl)butanamide
CID 72857619
1-(cyclopropylcarbonyl)-N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)-4-piperidinecarboxamide
CID 72872965
1-[2-(dimethylamino)ethyl]-N-(imidazo[1,2-a]pyrimidin-2-ylmethyl)-5-oxo-3-pyrrolidinecarboxamide
CID 72876295
N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)-2-(1-isopropyl-4-piperidinyl)acetamide
CID 72895405

Frequently Asked Questions

What is the IUPAC name of N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)-1-propan-2-ylpiperidine-4-carboxamide?
The IUPAC name of N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)-1-propan-2-ylpiperidine-4-carboxamide (CID 72854333) is N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)-1-propan-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)-1-propan-2-ylpiperidine-4-carboxamide?
The canonical SMILES for N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)-1-propan-2-ylpiperidine-4-carboxamide is CCC(NC(=O)C1CCN(C(C)C)CC1)c1cn2cccnc2n1.
What is the InChIKey of N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)-1-propan-2-ylpiperidine-4-carboxamide?
The InChIKey is PPOMJYXCDTVFRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O/c1-4-15(16-12-23-9-5-8-19-18(23)21-16)20-17(24)14-6-10-22(11-7-14)13(2)3/h5,8-9,12-15H,4,6-7,10-11H2,1-3H3,(H,20,24).
What are the key properties of N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)-1-propan-2-ylpiperidine-4-carboxamide?
N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)-1-propan-2-ylpiperidine-4-carboxamide has a molecular weight of 329.45 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)-1-propan-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 72854333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).