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

C19H24N4O2S — CID 163368392

IUPAC1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-benzylpiperidine-4-carboxamide
SMILESCC(=O)Nc1ncc(CN2CCC(C(=O)NCc3ccccc3)CC2)s1
InChIInChI=1S/C19H24N4O2S/c1-14(24)22-19-21-12-17(26-19)13-23-9-7-16(8-10-23)18(25)20-11-15-5-3-2-4-6-15/h2-6,12,16H,7-11,13H2,1H3,(H,20,25)(H,21,22,24)
InChIKeyUDQMRSVZHWEJET-UHFFFAOYSA-N
MW372.49 g/mol
LogP2.63
Rot. Bonds6

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

1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-benzylpiperidine-4-carboxamide (PubChem CID 163368392) has the molecular formula C19H24N4O2S and a molecular weight of 372.49 g/mol. Its IUPAC name is 1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-benzylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-benzylpiperidine-4-carboxamide
PubChem CID163368392
Molecular FormulaC19H24N4O2S
Molecular Weight372.49 g/mol
Exact Mass372.16
IUPAC Name1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-benzylpiperidine-4-carboxamide
SMILESCC(=O)Nc1ncc(CN2CCC(C(=O)NCc3ccccc3)CC2)s1
InChIInChI=1S/C19H24N4O2S/c1-14(24)22-19-21-12-17(26-19)13-23-9-7-16(8-10-23)18(25)20-11-15-5-3-2-4-6-15/h2-6,12,16H,7-11,13H2,1H3,(H,20,25)(H,21,22,24)
InChIKeyUDQMRSVZHWEJET-UHFFFAOYSA-N
XLogP2.63
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 52.63
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-benzylpiperidine-4-carboxamide?
The IUPAC name of 1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-benzylpiperidine-4-carboxamide (CID 163368392) is 1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-benzylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-benzylpiperidine-4-carboxamide?
The canonical SMILES for 1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-benzylpiperidine-4-carboxamide is CC(=O)Nc1ncc(CN2CCC(C(=O)NCc3ccccc3)CC2)s1.
What is the InChIKey of 1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-benzylpiperidine-4-carboxamide?
The InChIKey is UDQMRSVZHWEJET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2S/c1-14(24)22-19-21-12-17(26-19)13-23-9-7-16(8-10-23)18(25)20-11-15-5-3-2-4-6-15/h2-6,12,16H,7-11,13H2,1H3,(H,20,25)(H,21,22,24).
What are the key properties of 1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-benzylpiperidine-4-carboxamide?
1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-benzylpiperidine-4-carboxamide has a molecular weight of 372.49 g/mol, XLogP of 2.63, 6 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-benzylpiperidine-4-carboxamide is sourced from PubChem (CID 163368392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).