1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide

C20H26N4O3S — CID 163368450

IUPAC1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
SMILESCOc1ccc(CNC(=O)C2CCN(Cc3cnc(NC(C)=O)s3)CC2)cc1
InChIInChI=1S/C20H26N4O3S/c1-14(25)23-20-22-12-18(28-20)13-24-9-7-16(8-10-24)19(26)21-11-15-3-5-17(27-2)6-4-15/h3-6,12,16H,7-11,13H2,1-2H3,(H,21,26)(H,22,23,25)
InChIKeyRGWWHEPCWJFTHO-UHFFFAOYSA-N
MW402.52 g/mol
LogP2.64
Rot. Bonds7

About 1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide

1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide (PubChem CID 163368450) has the molecular formula C20H26N4O3S and a molecular weight of 402.52 g/mol. Its IUPAC name is 1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
PubChem CID163368450
Molecular FormulaC20H26N4O3S
Molecular Weight402.52 g/mol
Exact Mass402.17
IUPAC Name1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
SMILESCOc1ccc(CNC(=O)C2CCN(Cc3cnc(NC(C)=O)s3)CC2)cc1
InChIInChI=1S/C20H26N4O3S/c1-14(25)23-20-22-12-18(28-20)13-24-9-7-16(8-10-24)19(26)21-11-15-3-5-17(27-2)6-4-15/h3-6,12,16H,7-11,13H2,1-2H3,(H,21,26)(H,22,23,25)
InChIKeyRGWWHEPCWJFTHO-UHFFFAOYSA-N
XLogP2.64
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide (CID 163368450) is 1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide is COc1ccc(CNC(=O)C2CCN(Cc3cnc(NC(C)=O)s3)CC2)cc1.
What is the InChIKey of 1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is RGWWHEPCWJFTHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3S/c1-14(25)23-20-22-12-18(28-20)13-24-9-7-16(8-10-24)19(26)21-11-15-3-5-17(27-2)6-4-15/h3-6,12,16H,7-11,13H2,1-2H3,(H,21,26)(H,22,23,25).
What are the key properties of 1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide?
1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 402.52 g/mol, XLogP of 2.64, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 163368450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).