1-[(3-methyl-1,2-thiazol-5-yl)methyl]-4-phenylpiperidine-4-carboxamide

C17H21N3OS — CID 136558589

IUPAC1-[(3-methyl-1,2-thiazol-5-yl)methyl]-4-phenylpiperidine-4-carboxamide
SMILESCc1cc(CN2CCC(C(N)=O)(c3ccccc3)CC2)sn1
InChIInChI=1S/C17H21N3OS/c1-13-11-15(22-19-13)12-20-9-7-17(8-10-20,16(18)21)14-5-3-2-4-6-14/h2-6,11H,7-10,12H2,1H3,(H2,18,21)
InChIKeyAWRSKSOJQCURKQ-UHFFFAOYSA-N
MW315.44 g/mol
LogP2.47
Rot. Bonds4

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

1-[(3-methyl-1,2-thiazol-5-yl)methyl]-4-phenylpiperidine-4-carboxamide (PubChem CID 136558589) has the molecular formula C17H21N3OS and a molecular weight of 315.44 g/mol. Its IUPAC name is 1-[(3-methyl-1,2-thiazol-5-yl)methyl]-4-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(3-methyl-1,2-thiazol-5-yl)methyl]-4-phenylpiperidine-4-carboxamide
PubChem CID136558589
Molecular FormulaC17H21N3OS
Molecular Weight315.44 g/mol
Exact Mass315.14
IUPAC Name1-[(3-methyl-1,2-thiazol-5-yl)methyl]-4-phenylpiperidine-4-carboxamide
SMILESCc1cc(CN2CCC(C(N)=O)(c3ccccc3)CC2)sn1
InChIInChI=1S/C17H21N3OS/c1-13-11-15(22-19-13)12-20-9-7-17(8-10-20,16(18)21)14-5-3-2-4-6-14/h2-6,11H,7-10,12H2,1H3,(H2,18,21)
InChIKeyAWRSKSOJQCURKQ-UHFFFAOYSA-N
XLogP2.47
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-methyl-1,2-thiazol-5-yl)methyl]-4-phenylpiperidine-4-carboxamide?
The IUPAC name of 1-[(3-methyl-1,2-thiazol-5-yl)methyl]-4-phenylpiperidine-4-carboxamide (CID 136558589) is 1-[(3-methyl-1,2-thiazol-5-yl)methyl]-4-phenylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[(3-methyl-1,2-thiazol-5-yl)methyl]-4-phenylpiperidine-4-carboxamide?
The canonical SMILES for 1-[(3-methyl-1,2-thiazol-5-yl)methyl]-4-phenylpiperidine-4-carboxamide is Cc1cc(CN2CCC(C(N)=O)(c3ccccc3)CC2)sn1.
What is the InChIKey of 1-[(3-methyl-1,2-thiazol-5-yl)methyl]-4-phenylpiperidine-4-carboxamide?
The InChIKey is AWRSKSOJQCURKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3OS/c1-13-11-15(22-19-13)12-20-9-7-17(8-10-20,16(18)21)14-5-3-2-4-6-14/h2-6,11H,7-10,12H2,1H3,(H2,18,21).
What are the key properties of 1-[(3-methyl-1,2-thiazol-5-yl)methyl]-4-phenylpiperidine-4-carboxamide?
1-[(3-methyl-1,2-thiazol-5-yl)methyl]-4-phenylpiperidine-4-carboxamide has a molecular weight of 315.44 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methyl-1,2-thiazol-5-yl)methyl]-4-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 136558589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).