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

C18H22N4O2S — CID 163368443

IUPAC1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-phenylpiperidine-3-carboxamide
SMILESCC(=O)Nc1ncc(CN2CCCC(C(=O)Nc3ccccc3)C2)s1
InChIInChI=1S/C18H22N4O2S/c1-13(23)20-18-19-10-16(25-18)12-22-9-5-6-14(11-22)17(24)21-15-7-3-2-4-8-15/h2-4,7-8,10,14H,5-6,9,11-12H2,1H3,(H,21,24)(H,19,20,23)
InChIKeyKDWDKRBHVSULHG-UHFFFAOYSA-N
MW358.47 g/mol
LogP2.95
Rot. Bonds5

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

1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-phenylpiperidine-3-carboxamide (PubChem CID 163368443) has the molecular formula C18H22N4O2S and a molecular weight of 358.47 g/mol. Its IUPAC name is 1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-phenylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-phenylpiperidine-3-carboxamide
PubChem CID163368443
Molecular FormulaC18H22N4O2S
Molecular Weight358.47 g/mol
Exact Mass358.15
IUPAC Name1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-phenylpiperidine-3-carboxamide
SMILESCC(=O)Nc1ncc(CN2CCCC(C(=O)Nc3ccccc3)C2)s1
InChIInChI=1S/C18H22N4O2S/c1-13(23)20-18-19-10-16(25-18)12-22-9-5-6-14(11-22)17(24)21-15-7-3-2-4-8-15/h2-4,7-8,10,14H,5-6,9,11-12H2,1H3,(H,21,24)(H,19,20,23)
InChIKeyKDWDKRBHVSULHG-UHFFFAOYSA-N
XLogP2.95
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.47
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-phenylpiperidine-3-carboxamide?
The IUPAC name of 1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-phenylpiperidine-3-carboxamide (CID 163368443) is 1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-phenylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-phenylpiperidine-3-carboxamide?
The canonical SMILES for 1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-phenylpiperidine-3-carboxamide is CC(=O)Nc1ncc(CN2CCCC(C(=O)Nc3ccccc3)C2)s1.
What is the InChIKey of 1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-phenylpiperidine-3-carboxamide?
The InChIKey is KDWDKRBHVSULHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2S/c1-13(23)20-18-19-10-16(25-18)12-22-9-5-6-14(11-22)17(24)21-15-7-3-2-4-8-15/h2-4,7-8,10,14H,5-6,9,11-12H2,1H3,(H,21,24)(H,19,20,23).
What are the key properties of 1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-phenylpiperidine-3-carboxamide?
1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-phenylpiperidine-3-carboxamide has a molecular weight of 358.47 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-phenylpiperidine-3-carboxamide is sourced from PubChem (CID 163368443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).