4-acetyl-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]benzamide

C20H25N5O2 — CID 122320305

IUPAC4-acetyl-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]benzamide
SMILESCC(=O)c1ccc(C(=O)Nc2cnc(N3CCCCC3)nc2N(C)C)cc1
InChIInChI=1S/C20H25N5O2/c1-14(26)15-7-9-16(10-8-15)19(27)22-17-13-21-20(23-18(17)24(2)3)25-11-5-4-6-12-25/h7-10,13H,4-6,11-12H2,1-3H3,(H,22,27)
InChIKeyBTPHIBOZXIRQKW-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.99
Rot. Bonds5

About 4-acetyl-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]benzamide

4-acetyl-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]benzamide (PubChem CID 122320305) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is 4-acetyl-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]benzamide.

Molecular Properties

Compound Name4-acetyl-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]benzamide
PubChem CID122320305
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name4-acetyl-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]benzamide
SMILESCC(=O)c1ccc(C(=O)Nc2cnc(N3CCCCC3)nc2N(C)C)cc1
InChIInChI=1S/C20H25N5O2/c1-14(26)15-7-9-16(10-8-15)19(27)22-17-13-21-20(23-18(17)24(2)3)25-11-5-4-6-12-25/h7-10,13H,4-6,11-12H2,1-3H3,(H,22,27)
InChIKeyBTPHIBOZXIRQKW-UHFFFAOYSA-N
XLogP2.99
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-bromo-N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]benzamide
CID 122320103
N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]-4-methoxybenzamide
CID 91969303
N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]-4-phenylbenzamide
CID 91969317
N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-1,3-benzothiazole-6-carboxamide
CID 122320160
N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-4-methylbenzamide
CID 91969402
N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-2-methylbenzamide
CID 91969347
N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]-2,4-dimethylbenzamide
CID 91969300
4-acetyl-N-[2,4-bis(dimethylamino)pyrimidin-5-yl]benzamide
CID 122319784
2-chloro-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-6-fluorobenzamide
CID 91969367
N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-2-methoxybenzamide
CID 122320121
N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]naphthalene-1-carboxamide
CID 122319909
N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]-2,4-difluorobenzamide
CID 91969334

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]benzamide?
The IUPAC name of 4-acetyl-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]benzamide (CID 122320305) is 4-acetyl-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]benzamide.
What is the SMILES notation for 4-acetyl-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]benzamide?
The canonical SMILES for 4-acetyl-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]benzamide is CC(=O)c1ccc(C(=O)Nc2cnc(N3CCCCC3)nc2N(C)C)cc1.
What is the InChIKey of 4-acetyl-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]benzamide?
The InChIKey is BTPHIBOZXIRQKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-14(26)15-7-9-16(10-8-15)19(27)22-17-13-21-20(23-18(17)24(2)3)25-11-5-4-6-12-25/h7-10,13H,4-6,11-12H2,1-3H3,(H,22,27).
What are the key properties of 4-acetyl-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]benzamide?
4-acetyl-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]benzamide has a molecular weight of 367.45 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]benzamide is sourced from PubChem (CID 122320305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).