N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)-4-piperidin-1-ylbutanamide

C18H27N5O — CID 72857619

IUPACN-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)-4-piperidin-1-ylbutanamide
SMILESCCC(NC(=O)CCCN1CCCCC1)c1cn2cccnc2n1
InChIInChI=1S/C18H27N5O/c1-2-15(16-14-23-13-7-9-19-18(23)21-16)20-17(24)8-6-12-22-10-4-3-5-11-22/h7,9,13-15H,2-6,8,10-12H2,1H3,(H,20,24)
InChIKeyKBOHIQOACNVRTA-UHFFFAOYSA-N
MW329.45 g/mol
LogP2.56
Rot. Bonds7

About N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)-4-piperidin-1-ylbutanamide

N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)-4-piperidin-1-ylbutanamide (PubChem CID 72857619) 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)-4-piperidin-1-ylbutanamide.

Molecular Properties

Compound NameN-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)-4-piperidin-1-ylbutanamide
PubChem CID72857619
Molecular FormulaC18H27N5O
Molecular Weight329.45 g/mol
Exact Mass329.22
IUPAC NameN-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)-4-piperidin-1-ylbutanamide
SMILESCCC(NC(=O)CCCN1CCCCC1)c1cn2cccnc2n1
InChIInChI=1S/C18H27N5O/c1-2-15(16-14-23-13-7-9-19-18(23)21-16)20-17(24)8-6-12-22-10-4-3-5-11-22/h7,9,13-15H,2-6,8,10-12H2,1H3,(H,20,24)
InChIKeyKBOHIQOACNVRTA-UHFFFAOYSA-N
XLogP2.56
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

US10906888, Example 121
CID 139580314
US10906888, Example 125
CID 139580330
US10906888, Example 114
CID 139580383
1-(3-Imidazol-1-ylpiperidin-1-yl)-3-(pyrimidin-2-ylamino)propan-1-one
CID 53592170
1-[3-(2-Methylimidazol-1-yl)piperidin-1-yl]-3-(pyrimidin-2-ylamino)propan-1-one
CID 53613635
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-[3-(2-Ethylimidazol-1-yl)piperidin-1-yl]-4-(pyrimidin-2-ylamino)butan-1-one
CID 56779752
N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)-1-isopropyl-4-piperidinecarboxamide
CID 72854333
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)-4-piperidin-1-ylbutanamide?
The IUPAC name of N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)-4-piperidin-1-ylbutanamide (CID 72857619) is N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)-4-piperidin-1-ylbutanamide.
What is the SMILES notation for N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)-4-piperidin-1-ylbutanamide?
The canonical SMILES for N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)-4-piperidin-1-ylbutanamide is CCC(NC(=O)CCCN1CCCCC1)c1cn2cccnc2n1.
What is the InChIKey of N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)-4-piperidin-1-ylbutanamide?
The InChIKey is KBOHIQOACNVRTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O/c1-2-15(16-14-23-13-7-9-19-18(23)21-16)20-17(24)8-6-12-22-10-4-3-5-11-22/h7,9,13-15H,2-6,8,10-12H2,1H3,(H,20,24).
What are the key properties of N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)-4-piperidin-1-ylbutanamide?
N-(1-imidazo[1,2-a]pyrimidin-2-ylpropyl)-4-piperidin-1-ylbutanamide has a molecular weight of 329.45 g/mol, XLogP of 2.56, 7 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)-4-piperidin-1-ylbutanamide is sourced from PubChem (CID 72857619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).