2-naphthalen-1-yl-N-[(2R)-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]acetamide

C23H25N5O2 — CID 51968328

IUPAC2-naphthalen-1-yl-N-[(2R)-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]acetamide
SMILESC[C@@H](NC(=O)Cc1cccc2ccccc12)C(=O)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C23H25N5O2/c1-17(22(30)27-12-14-28(15-13-27)23-24-10-5-11-25-23)26-21(29)16-19-8-4-7-18-6-2-3-9-20(18)19/h2-11,17H,12-16H2,1H3,(H,26,29)/t17-/m1/s1
InChIKeyMBBDNYXEFGKARY-QGZVFWFLSA-N
MW403.49 g/mol
LogP2.03
Rot. Bonds5

About 2-naphthalen-1-yl-N-[(2R)-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]acetamide

2-naphthalen-1-yl-N-[(2R)-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]acetamide (PubChem CID 51968328) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is 2-naphthalen-1-yl-N-[(2R)-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]acetamide.

Molecular Properties

Compound Name2-naphthalen-1-yl-N-[(2R)-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]acetamide
PubChem CID51968328
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC Name2-naphthalen-1-yl-N-[(2R)-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]acetamide
SMILESC[C@@H](NC(=O)Cc1cccc2ccccc12)C(=O)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C23H25N5O2/c1-17(22(30)27-12-14-28(15-13-27)23-24-10-5-11-25-23)26-21(29)16-19-8-4-7-18-6-2-3-9-20(18)19/h2-11,17H,12-16H2,1H3,(H,26,29)/t17-/m1/s1
InChIKeyMBBDNYXEFGKARY-QGZVFWFLSA-N
XLogP2.03
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-hydroxy-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-2-naphthalen-1-ylacetamide
CID 5009580
N-[(2S)-1-(4-methyl-1,4-diazepan-4-ium-1-yl)-1-oxopropan-2-yl]-2-naphthalen-1-ylacetamide
CID 2549935
N-[2-[[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 56544966
2-(2-methoxyphenyl)-N-[(2R)-1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]acetamide
CID 95100131
2-naphthalen-1-yl-N-[(2R)-1-oxo-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)propan-2-yl]acetamide
CID 41229166
N-[1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]butanamide
CID 53161580
(2R)-2-[(2-naphthalen-1-ylacetyl)amino]propanoic acid
CID 2088738
(E)-N-[(2S)-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-3-phenylprop-2-enamide
CID 9269227
N-[(2S)-1-(4-benzoylpiperazin-1-yl)-3-methyl-1-oxobutan-2-yl]-2-naphthalen-1-ylacetamide
CID 41235170
methyl (2R)-2-[(2-naphthalen-1-ylacetyl)amino]propanoate
CID 2079406
N-(1-cyclopropylethyl)-N-methyl-2-[(2-naphthalen-1-ylacetyl)amino]propanamide
CID 24688294
N-[(2R)-1-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-1-oxopropan-2-yl]-2-naphthalen-1-ylacetamide
CID 26001801

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-yl-N-[(2R)-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]acetamide?
The IUPAC name of 2-naphthalen-1-yl-N-[(2R)-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]acetamide (CID 51968328) is 2-naphthalen-1-yl-N-[(2R)-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]acetamide.
What is the SMILES notation for 2-naphthalen-1-yl-N-[(2R)-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]acetamide?
The canonical SMILES for 2-naphthalen-1-yl-N-[(2R)-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]acetamide is C[C@@H](NC(=O)Cc1cccc2ccccc12)C(=O)N1CCN(c2ncccn2)CC1.
What is the InChIKey of 2-naphthalen-1-yl-N-[(2R)-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]acetamide?
The InChIKey is MBBDNYXEFGKARY-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H25N5O2/c1-17(22(30)27-12-14-28(15-13-27)23-24-10-5-11-25-23)26-21(29)16-19-8-4-7-18-6-2-3-9-20(18)19/h2-11,17H,12-16H2,1H3,(H,26,29)/t17-/m1/s1.
What are the key properties of 2-naphthalen-1-yl-N-[(2R)-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]acetamide?
2-naphthalen-1-yl-N-[(2R)-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]acetamide has a molecular weight of 403.49 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-yl-N-[(2R)-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]acetamide is sourced from PubChem (CID 51968328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).