(2R)-N-(2-methoxy-5-methylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide

C19H26N5O2+ — CID 9445490

IUPAC(2R)-N-(2-methoxy-5-methylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide
SMILESCOc1ccc(C)cc1NC(=O)[C@@H](C)[NH+]1CCN(c2ncccn2)CC1
InChIInChI=1S/C19H25N5O2/c1-14-5-6-17(26-3)16(13-14)22-18(25)15(2)23-9-11-24(12-10-23)19-20-7-4-8-21-19/h4-8,13,15H,9-12H2,1-3H3,(H,22,25)/p+1/t15-/m1/s1
InChIKeyMSWOEXUVCTWSJR-OAHLLOKOSA-O
MW356.45 g/mol
LogP0.53
Rot. Bonds5

About (2R)-N-(2-methoxy-5-methylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide

(2R)-N-(2-methoxy-5-methylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide (PubChem CID 9445490) has the molecular formula C19H26N5O2+ and a molecular weight of 356.45 g/mol. Its IUPAC name is (2R)-N-(2-methoxy-5-methylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide.

Molecular Properties

Compound Name(2R)-N-(2-methoxy-5-methylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide
PubChem CID9445490
Molecular FormulaC19H26N5O2+
Molecular Weight356.45 g/mol
Exact Mass356.21
IUPAC Name(2R)-N-(2-methoxy-5-methylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide
SMILESCOc1ccc(C)cc1NC(=O)[C@@H](C)[NH+]1CCN(c2ncccn2)CC1
InChIInChI=1S/C19H25N5O2/c1-14-5-6-17(26-3)16(13-14)22-18(25)15(2)23-9-11-24(12-10-23)19-20-7-4-8-21-19/h4-8,13,15H,9-12H2,1-3H3,(H,22,25)/p+1/t15-/m1/s1
InChIKeyMSWOEXUVCTWSJR-OAHLLOKOSA-O
XLogP0.53
TPSA71.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-(2-methoxy-5-methylphenyl)-2-piperidin-1-ium-1-ylpropanamide
CID 9249574
(2S)-2-(azepan-1-ium-1-yl)-N-(2-methoxy-5-methylphenyl)propanamide
CID 9249893
(2S)-N-(2-methoxy-5-methylphenyl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)propanamide
CID 9446138
(2R)-N-[(3,4-dimethoxyphenyl)methyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide
CID 9445560
(2R)-N-(2,4-difluorophenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide
CID 9445502
(2R)-2-(4-benzylpiperazine-1,4-diium-1-yl)-N-(2-methoxy-5-methylphenyl)propanamide
CID 9275219
N-(2-methoxy-5-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 17447434
(2R)-N-(2-methoxy-5-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 9446137
N-(5-chloro-2-methoxyphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 51168044
N-(2-methoxy-5-methylphenyl)-2-pyrazol-1-ylpropanamide
CID 42949038
(2S)-N-(2-methoxy-5-methylphenyl)-2-(4-phenyl-1,2,3,6-tetrahydropyridin-1-ium-1-yl)propanamide
CID 9495106
(2R)-N-(3-acetylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide
CID 2612747

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-methoxy-5-methylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide?
The IUPAC name of (2R)-N-(2-methoxy-5-methylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide (CID 9445490) is (2R)-N-(2-methoxy-5-methylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide.
What is the SMILES notation for (2R)-N-(2-methoxy-5-methylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide?
The canonical SMILES for (2R)-N-(2-methoxy-5-methylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide is COc1ccc(C)cc1NC(=O)[C@@H](C)[NH+]1CCN(c2ncccn2)CC1.
What is the InChIKey of (2R)-N-(2-methoxy-5-methylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide?
The InChIKey is MSWOEXUVCTWSJR-OAHLLOKOSA-O. The full InChI is InChI=1S/C19H25N5O2/c1-14-5-6-17(26-3)16(13-14)22-18(25)15(2)23-9-11-24(12-10-23)19-20-7-4-8-21-19/h4-8,13,15H,9-12H2,1-3H3,(H,22,25)/p+1/t15-/m1/s1.
What are the key properties of (2R)-N-(2-methoxy-5-methylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide?
(2R)-N-(2-methoxy-5-methylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide has a molecular weight of 356.45 g/mol, XLogP of 0.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-methoxy-5-methylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)propanamide is sourced from PubChem (CID 9445490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).