2-[1-(imidazo[1,2-a]pyrimidine-2-carbonyl)piperidin-4-yl]-N-[(1R)-1-phenylethyl]acetamide

C22H25N5O2 — CID 92633913

IUPAC2-[1-(imidazo[1,2-a]pyrimidine-2-carbonyl)piperidin-4-yl]-N-[(1R)-1-phenylethyl]acetamide
SMILESC[C@@H](NC(=O)CC1CCN(C(=O)c2cn3cccnc3n2)CC1)c1ccccc1
InChIInChI=1S/C22H25N5O2/c1-16(18-6-3-2-4-7-18)24-20(28)14-17-8-12-26(13-9-17)21(29)19-15-27-11-5-10-23-22(27)25-19/h2-7,10-11,15-17H,8-9,12-14H2,1H3,(H,24,28)/t16-/m1/s1
InChIKeyYQFSBUYSZVDHIR-MRXNPFEDSA-N
MW391.48 g/mol
LogP2.85
Rot. Bonds5

About 2-[1-(imidazo[1,2-a]pyrimidine-2-carbonyl)piperidin-4-yl]-N-[(1R)-1-phenylethyl]acetamide

2-[1-(imidazo[1,2-a]pyrimidine-2-carbonyl)piperidin-4-yl]-N-[(1R)-1-phenylethyl]acetamide (PubChem CID 92633913) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is 2-[1-(imidazo[1,2-a]pyrimidine-2-carbonyl)piperidin-4-yl]-N-[(1R)-1-phenylethyl]acetamide.

Molecular Properties

Compound Name2-[1-(imidazo[1,2-a]pyrimidine-2-carbonyl)piperidin-4-yl]-N-[(1R)-1-phenylethyl]acetamide
PubChem CID92633913
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name2-[1-(imidazo[1,2-a]pyrimidine-2-carbonyl)piperidin-4-yl]-N-[(1R)-1-phenylethyl]acetamide
SMILESC[C@@H](NC(=O)CC1CCN(C(=O)c2cn3cccnc3n2)CC1)c1ccccc1
InChIInChI=1S/C22H25N5O2/c1-16(18-6-3-2-4-7-18)24-20(28)14-17-8-12-26(13-9-17)21(29)19-15-27-11-5-10-23-22(27)25-19/h2-7,10-11,15-17H,8-9,12-14H2,1H3,(H,24,28)/t16-/m1/s1
InChIKeyYQFSBUYSZVDHIR-MRXNPFEDSA-N
XLogP2.85
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(1-ethylpyrazole-3-carbonyl)piperidin-4-yl]-N-(1-phenylethyl)acetamide
CID 110246315
2-(1-cyclopropylpiperidin-4-yl)-N-(1-phenylethyl)acetamide
CID 110754745
azepan-1-yl(imidazo[1,2-a]pyrimidin-2-yl)methanone
CID 94146892
imidazo[1,2-a]pyrimidin-2-yl-[4-(2-methylphenyl)sulfanylpiperidin-1-yl]methanone;2,2,2-trifluoroacetic acid
CID 154889210
2-[1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidin-4-yl]-N-[(1S)-1-phenylethyl]acetamide
CID 92633969
N-(4-methylphenyl)-4-[2-oxo-2-(1-phenylethylamino)ethyl]piperidine-1-carboxamide
CID 52998819
2-[1-(imidazo[1,2-a]pyridine-2-carbonyl)piperidin-4-yl]acetic acid
CID 79612699
2-[1-(2-methylpropanoyl)piperidin-4-yl]-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 92634096
N-(4-methylphenyl)-5-[4-[2-oxo-2-(1-phenylethylamino)ethyl]piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide
CID 46330820
2-[1-(2-phenylacetyl)piperidin-4-yl]-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 92634093
2-[1-(pyridine-2-carbonyl)piperidin-4-yl]acetic acid
CID 79614951
(4-benzylpiperidin-1-yl)-[4-(1-phenylethylamino)-2-pyridinyl]methanone
CID 109210790

Frequently Asked Questions

What is the IUPAC name of 2-[1-(imidazo[1,2-a]pyrimidine-2-carbonyl)piperidin-4-yl]-N-[(1R)-1-phenylethyl]acetamide?
The IUPAC name of 2-[1-(imidazo[1,2-a]pyrimidine-2-carbonyl)piperidin-4-yl]-N-[(1R)-1-phenylethyl]acetamide (CID 92633913) is 2-[1-(imidazo[1,2-a]pyrimidine-2-carbonyl)piperidin-4-yl]-N-[(1R)-1-phenylethyl]acetamide.
What is the SMILES notation for 2-[1-(imidazo[1,2-a]pyrimidine-2-carbonyl)piperidin-4-yl]-N-[(1R)-1-phenylethyl]acetamide?
The canonical SMILES for 2-[1-(imidazo[1,2-a]pyrimidine-2-carbonyl)piperidin-4-yl]-N-[(1R)-1-phenylethyl]acetamide is C[C@@H](NC(=O)CC1CCN(C(=O)c2cn3cccnc3n2)CC1)c1ccccc1.
What is the InChIKey of 2-[1-(imidazo[1,2-a]pyrimidine-2-carbonyl)piperidin-4-yl]-N-[(1R)-1-phenylethyl]acetamide?
The InChIKey is YQFSBUYSZVDHIR-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-16(18-6-3-2-4-7-18)24-20(28)14-17-8-12-26(13-9-17)21(29)19-15-27-11-5-10-23-22(27)25-19/h2-7,10-11,15-17H,8-9,12-14H2,1H3,(H,24,28)/t16-/m1/s1.
What are the key properties of 2-[1-(imidazo[1,2-a]pyrimidine-2-carbonyl)piperidin-4-yl]-N-[(1R)-1-phenylethyl]acetamide?
2-[1-(imidazo[1,2-a]pyrimidine-2-carbonyl)piperidin-4-yl]-N-[(1R)-1-phenylethyl]acetamide has a molecular weight of 391.48 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(imidazo[1,2-a]pyrimidine-2-carbonyl)piperidin-4-yl]-N-[(1R)-1-phenylethyl]acetamide is sourced from PubChem (CID 92633913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).