N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-propylpiperidine-3-carboxamide

C14H23N3OS — CID 63281001

IUPACN-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-propylpiperidine-3-carboxamide
SMILESCCCC1(C(=O)NCc2scnc2C)CCCNC1
InChIInChI=1S/C14H23N3OS/c1-3-5-14(6-4-7-15-9-14)13(18)16-8-12-11(2)17-10-19-12/h10,15H,3-9H2,1-2H3,(H,16,18)
InChIKeyXLVGSPWNWJBYJM-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.24
Rot. Bonds5

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

N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-propylpiperidine-3-carboxamide (PubChem CID 63281001) has the molecular formula C14H23N3OS and a molecular weight of 281.42 g/mol. Its IUPAC name is N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-propylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-propylpiperidine-3-carboxamide
PubChem CID63281001
Molecular FormulaC14H23N3OS
Molecular Weight281.42 g/mol
Exact Mass281.16
IUPAC NameN-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-propylpiperidine-3-carboxamide
SMILESCCCC1(C(=O)NCc2scnc2C)CCCNC1
InChIInChI=1S/C14H23N3OS/c1-3-5-14(6-4-7-15-9-14)13(18)16-8-12-11(2)17-10-19-12/h10,15H,3-9H2,1-2H3,(H,16,18)
InChIKeyXLVGSPWNWJBYJM-UHFFFAOYSA-N
XLogP2.24
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-propylpiperidine-3-carboxamide?
The IUPAC name of N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-propylpiperidine-3-carboxamide (CID 63281001) is N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-propylpiperidine-3-carboxamide.
What is the SMILES notation for N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-propylpiperidine-3-carboxamide?
The canonical SMILES for N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-propylpiperidine-3-carboxamide is CCCC1(C(=O)NCc2scnc2C)CCCNC1.
What is the InChIKey of N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-propylpiperidine-3-carboxamide?
The InChIKey is XLVGSPWNWJBYJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS/c1-3-5-14(6-4-7-15-9-14)13(18)16-8-12-11(2)17-10-19-12/h10,15H,3-9H2,1-2H3,(H,16,18).
What are the key properties of N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-propylpiperidine-3-carboxamide?
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-propylpiperidine-3-carboxamide has a molecular weight of 281.42 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-propylpiperidine-3-carboxamide is sourced from PubChem (CID 63281001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).