3-propyl-N-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide

C13H21N3OS — CID 63134919

IUPAC3-propyl-N-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide
SMILESCCCC1(C(=O)NCc2nccs2)CCCNC1
InChIInChI=1S/C13H21N3OS/c1-2-4-13(5-3-6-14-10-13)12(17)16-9-11-15-7-8-18-11/h7-8,14H,2-6,9-10H2,1H3,(H,16,17)
InChIKeyFVCLGFWIGSBXDN-UHFFFAOYSA-N
MW267.40 g/mol
LogP1.93
Rot. Bonds5

About 3-propyl-N-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide

3-propyl-N-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide (PubChem CID 63134919) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is 3-propyl-N-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name3-propyl-N-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide
PubChem CID63134919
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC Name3-propyl-N-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide
SMILESCCCC1(C(=O)NCc2nccs2)CCCNC1
InChIInChI=1S/C13H21N3OS/c1-2-4-13(5-3-6-14-10-13)12(17)16-9-11-15-7-8-18-11/h7-8,14H,2-6,9-10H2,1H3,(H,16,17)
InChIKeyFVCLGFWIGSBXDN-UHFFFAOYSA-N
XLogP1.93
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-propyl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrrolidine-3-carboxamide
CID 55176192
3-propyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 55176838
3-propyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 55179348
N-[(4-methylphenyl)methyl]-3-propylpiperidine-3-carboxamide
CID 63132092
N-[[4-(hydroxymethyl)phenyl]methyl]-3-propylpiperidine-3-carboxamide
CID 107231254
3-ethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-3-carboxamide
CID 63131523
N-[(3-bromophenyl)methyl]-3-propylpiperidine-3-carboxamide
CID 63135385
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-propylpyrrolidine-3-carboxamide
CID 63281046
3-propyl-N-(1H-pyrrol-3-ylmethyl)piperidine-3-carboxamide
CID 114181937
N-(1H-imidazol-2-ylmethyl)-3-propylpyrrolidine-3-carboxamide
CID 64529966
N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-propylpiperidine-3-carboxamide
CID 115990066
N-[(1-methylpyrrol-3-yl)methyl]-3-propylpiperidine-3-carboxamide
CID 106390774

Frequently Asked Questions

What is the IUPAC name of 3-propyl-N-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of 3-propyl-N-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide (CID 63134919) is 3-propyl-N-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for 3-propyl-N-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for 3-propyl-N-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide is CCCC1(C(=O)NCc2nccs2)CCCNC1.
What is the InChIKey of 3-propyl-N-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide?
The InChIKey is FVCLGFWIGSBXDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-2-4-13(5-3-6-14-10-13)12(17)16-9-11-15-7-8-18-11/h7-8,14H,2-6,9-10H2,1H3,(H,16,17).
What are the key properties of 3-propyl-N-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide?
3-propyl-N-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide has a molecular weight of 267.40 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-N-(1,3-thiazol-2-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 63134919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).