N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboxamide

C22H29N5O3S — CID 55743294

IUPACN-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCN(Cc3csc(C)n3)CC2)cc1N1CCCCC1=O
InChIInChI=1S/C22H29N5O3S/c1-16-23-18(15-31-16)14-25-9-11-26(12-10-25)22(29)24-17-6-7-20(30-2)19(13-17)27-8-4-3-5-21(27)28/h6-7,13,15H,3-5,8-12,14H2,1-2H3,(H,24,29)
InChIKeyAISCFTOELKUVBU-UHFFFAOYSA-N
MW443.57 g/mol
LogP3.33
Rot. Bonds5

About N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboxamide

N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboxamide (PubChem CID 55743294) has the molecular formula C22H29N5O3S and a molecular weight of 443.57 g/mol. Its IUPAC name is N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboxamide
PubChem CID55743294
Molecular FormulaC22H29N5O3S
Molecular Weight443.57 g/mol
Exact Mass443.20
IUPAC NameN-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboxamide
SMILESCOc1ccc(NC(=O)N2CCN(Cc3csc(C)n3)CC2)cc1N1CCCCC1=O
InChIInChI=1S/C22H29N5O3S/c1-16-23-18(15-31-16)14-25-9-11-26(12-10-25)22(29)24-17-6-7-20(30-2)19(13-17)27-8-4-3-5-21(27)28/h6-7,13,15H,3-5,8-12,14H2,1-2H3,(H,24,29)
InChIKeyAISCFTOELKUVBU-UHFFFAOYSA-N
XLogP3.33
TPSA78.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.57
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboxamide?
The IUPAC name of N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboxamide (CID 55743294) is N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboxamide?
The canonical SMILES for N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboxamide is COc1ccc(NC(=O)N2CCN(Cc3csc(C)n3)CC2)cc1N1CCCCC1=O.
What is the InChIKey of N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboxamide?
The InChIKey is AISCFTOELKUVBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O3S/c1-16-23-18(15-31-16)14-25-9-11-26(12-10-25)22(29)24-17-6-7-20(30-2)19(13-17)27-8-4-3-5-21(27)28/h6-7,13,15H,3-5,8-12,14H2,1-2H3,(H,24,29).
What are the key properties of N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboxamide?
N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboxamide has a molecular weight of 443.57 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 55743294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).