(2R)-N-(3-acetylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide

C19H24N5O2+ — CID 2612747

IUPAC(2R)-N-(3-acetylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide
SMILESCC(=O)c1cccc(NC(=O)[C@@H](C)[NH+]2CCN(c3ncccn3)CC2)c1
InChIInChI=1S/C19H23N5O2/c1-14(18(26)22-17-6-3-5-16(13-17)15(2)25)23-9-11-24(12-10-23)19-20-7-4-8-21-19/h3-8,13-14H,9-12H2,1-2H3,(H,22,26)/p+1/t14-/m1/s1
InChIKeyBTPAXCUMDIAERA-CQSZACIVSA-O
MW354.43 g/mol
LogP0.41
Rot. Bonds5

About (2R)-N-(3-acetylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide

(2R)-N-(3-acetylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide (PubChem CID 2612747) has the molecular formula C19H24N5O2+ and a molecular weight of 354.43 g/mol. Its IUPAC name is (2R)-N-(3-acetylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide.

Molecular Properties

Compound Name(2R)-N-(3-acetylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide
PubChem CID2612747
Molecular FormulaC19H24N5O2+
Molecular Weight354.43 g/mol
Exact Mass354.19
IUPAC Name(2R)-N-(3-acetylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide
SMILESCC(=O)c1cccc(NC(=O)[C@@H](C)[NH+]2CCN(c3ncccn3)CC2)c1
InChIInChI=1S/C19H23N5O2/c1-14(18(26)22-17-6-3-5-16(13-17)15(2)25)23-9-11-24(12-10-23)19-20-7-4-8-21-19/h3-8,13-14H,9-12H2,1-2H3,(H,22,26)/p+1/t14-/m1/s1
InChIKeyBTPAXCUMDIAERA-CQSZACIVSA-O
XLogP0.41
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-(3-acetylphenyl)-2-(4-acetylpiperazin-1-ium-1-yl)propanamide
CID 8904387
(2S)-N-(3-acetylphenyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanamide
CID 8547240
(2R)-N-(2,4-difluorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide
CID 9445502
(2R)-N-(3-acetylphenyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)propanamide
CID 8745871
(2R)-N-(2-methoxy-5-methylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide
CID 9445490
(2S)-N-(3-acetylphenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide
CID 8903613
(2S)-N-(3-acetylphenyl)-2-[4-[(3-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]propanamide
CID 9258737
3-acetamido-N-(1-pyrimidin-2-ylpiperidin-4-yl)benzamide
CID 110741981
(2R)-N-(3-acetylphenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazine-1,4-diium-1-yl]propanamide
CID 9130126
(2R)-N-(3-acetylphenyl)-2-[4-(1,3-benzothiazol-2-ylmethyl)piperazine-1,4-diium-1-yl]propanamide
CID 9390981
(2R)-2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(3-methylphenyl)propanamide
CID 2562903
(2R)-N-(3-acetylphenyl)-2-piperidin-1-ylpropanamide
CID 8894791

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-acetylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide?
The IUPAC name of (2R)-N-(3-acetylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide (CID 2612747) is (2R)-N-(3-acetylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide.
What is the SMILES notation for (2R)-N-(3-acetylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide?
The canonical SMILES for (2R)-N-(3-acetylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide is CC(=O)c1cccc(NC(=O)[C@@H](C)[NH+]2CCN(c3ncccn3)CC2)c1.
What is the InChIKey of (2R)-N-(3-acetylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide?
The InChIKey is BTPAXCUMDIAERA-CQSZACIVSA-O. The full InChI is InChI=1S/C19H23N5O2/c1-14(18(26)22-17-6-3-5-16(13-17)15(2)25)23-9-11-24(12-10-23)19-20-7-4-8-21-19/h3-8,13-14H,9-12H2,1-2H3,(H,22,26)/p+1/t14-/m1/s1.
What are the key properties of (2R)-N-(3-acetylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide?
(2R)-N-(3-acetylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide has a molecular weight of 354.43 g/mol, XLogP of 0.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-acetylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide is sourced from PubChem (CID 2612747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).