2-[1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-4-piperidin-1-ylpyrimidine-5-carboxamide

C23H32N6O4S — CID 59993380

IUPAC2-[1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-4-piperidin-1-ylpyrimidine-5-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCN(C(C)c3ncc(C(N)=O)c(N4CCCCC4)n3)CC2)cc1
InChIInChI=1S/C23H32N6O4S/c1-17(22-25-16-20(21(24)30)23(26-22)28-10-4-3-5-11-28)27-12-14-29(15-13-27)34(31,32)19-8-6-18(33-2)7-9-19/h6-9,16-17H,3-5,10-15H2,1-2H3,(H2,24,30)
InChIKeyAUVKVXARWGVVKL-UHFFFAOYSA-N
MW488.61 g/mol
LogP1.64
Rot. Bonds7

About 2-[1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-4-piperidin-1-ylpyrimidine-5-carboxamide

2-[1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-4-piperidin-1-ylpyrimidine-5-carboxamide (PubChem CID 59993380) has the molecular formula C23H32N6O4S and a molecular weight of 488.61 g/mol. Its IUPAC name is 2-[1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-4-piperidin-1-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-4-piperidin-1-ylpyrimidine-5-carboxamide
PubChem CID59993380
Molecular FormulaC23H32N6O4S
Molecular Weight488.61 g/mol
Exact Mass488.22
IUPAC Name2-[1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-4-piperidin-1-ylpyrimidine-5-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCN(C(C)c3ncc(C(N)=O)c(N4CCCCC4)n3)CC2)cc1
InChIInChI=1S/C23H32N6O4S/c1-17(22-25-16-20(21(24)30)23(26-22)28-10-4-3-5-11-28)27-12-14-29(15-13-27)34(31,32)19-8-6-18(33-2)7-9-19/h6-9,16-17H,3-5,10-15H2,1-2H3,(H2,24,30)
InChIKeyAUVKVXARWGVVKL-UHFFFAOYSA-N
XLogP1.64
TPSA121.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.61
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

[2-[1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-4-piperidin-1-ylpyrimidin-5-yl]methanol
CID 59993249
2-[1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-4-pyrrolidin-1-ylquinazoline
CID 59993146
ethyl 2-[1-[4-(benzenesulfonyl)piperazin-1-yl]ethyl]-4-methylpyrimidine-5-carboxylate
CID 59993233
[1-[2-[1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]quinazolin-4-yl]piperidin-4-yl]methanol
CID 59993435
2-[(1R)-1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]ethyl]-4-piperidin-1-ylquinazoline
CID 59993462
2-[(1R)-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]ethyl]-4-piperidin-1-ylquinazoline
CID 92753675
2-[(1R)-1-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]ethyl]-4-piperidin-1-ylquinazoline
CID 98046943
[1-[2-[1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]quinazolin-4-yl]piperidin-2-yl]methanol
CID 91335628
(2R)-2-amino-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 119265572
1-[(2R)-butan-2-yl]-4-(4-methoxyphenyl)sulfonylpiperazine
CID 7130162
(2R)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-[(1S,2S)-2-methylcyclohexyl]propanamide
CID 8746280
2-[(1R)-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-N-phenylquinazolin-4-amine
CID 92753550

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-4-piperidin-1-ylpyrimidine-5-carboxamide?
The IUPAC name of 2-[1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-4-piperidin-1-ylpyrimidine-5-carboxamide (CID 59993380) is 2-[1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-4-piperidin-1-ylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-[1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-4-piperidin-1-ylpyrimidine-5-carboxamide?
The canonical SMILES for 2-[1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-4-piperidin-1-ylpyrimidine-5-carboxamide is COc1ccc(S(=O)(=O)N2CCN(C(C)c3ncc(C(N)=O)c(N4CCCCC4)n3)CC2)cc1.
What is the InChIKey of 2-[1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-4-piperidin-1-ylpyrimidine-5-carboxamide?
The InChIKey is AUVKVXARWGVVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N6O4S/c1-17(22-25-16-20(21(24)30)23(26-22)28-10-4-3-5-11-28)27-12-14-29(15-13-27)34(31,32)19-8-6-18(33-2)7-9-19/h6-9,16-17H,3-5,10-15H2,1-2H3,(H2,24,30).
What are the key properties of 2-[1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-4-piperidin-1-ylpyrimidine-5-carboxamide?
2-[1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-4-piperidin-1-ylpyrimidine-5-carboxamide has a molecular weight of 488.61 g/mol, XLogP of 1.64, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]ethyl]-4-piperidin-1-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 59993380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).