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

C14H23N3OS — CID 63280956

IUPACN-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-propylpiperidine-4-carboxamide
SMILESCCCC1(C(=O)NCc2scnc2C)CCNCC1
InChIInChI=1S/C14H23N3OS/c1-3-4-14(5-7-15-8-6-14)13(18)16-9-12-11(2)17-10-19-12/h10,15H,3-9H2,1-2H3,(H,16,18)
InChIKeyCYYFIUZMBFTUDB-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.24
Rot. Bonds5

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

N-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-propylpiperidine-4-carboxamide (PubChem CID 63280956) 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]-4-propylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-propylpiperidine-4-carboxamide
PubChem CID63280956
Molecular FormulaC14H23N3OS
Molecular Weight281.42 g/mol
Exact Mass281.16
IUPAC NameN-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-propylpiperidine-4-carboxamide
SMILESCCCC1(C(=O)NCc2scnc2C)CCNCC1
InChIInChI=1S/C14H23N3OS/c1-3-4-14(5-7-15-8-6-14)13(18)16-9-12-11(2)17-10-19-12/h10,15H,3-9H2,1-2H3,(H,16,18)
InChIKeyCYYFIUZMBFTUDB-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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Related Compounds

N-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-propylpyrrolidine-3-carboxamide
CID 63281046
N-[(6-methyl-3-pyridinyl)methyl]-4-propylpiperidine-4-carboxamide
CID 63129561
N-[(4-fluorophenyl)methyl]-4-propylpiperidine-4-carboxamide
CID 63127194
1-cyano-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cyclopropane-1-carboxamide
CID 80592930
1-[(4-methyl-1,3-thiazol-5-yl)methyl]-3-propylurea
CID 115612251
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-propylpyrrolidine-3-carboxamide
CID 63141539
4-propyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-4-carboxamide
CID 79231351
4-propyl-N-(1H-pyrazol-5-ylmethyl)piperidine-4-carboxamide
CID 63129181
N-[(3-ethyl-2-pyridinyl)methyl]-4-propylpiperidine-4-carboxamide
CID 82736217
N-[(4-methyl-1,3-thiazol-5-yl)methyl]propanamide
CID 63373165
N-[(3-fluorophenyl)methyl]-4-propylpiperidine-4-carboxamide
CID 63127726
N-(cyanomethyl)-4-propylpiperidine-4-carboxamide
CID 63129150

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-propylpiperidine-4-carboxamide?
The IUPAC name of N-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-propylpiperidine-4-carboxamide (CID 63280956) is N-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-propylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-propylpiperidine-4-carboxamide?
The canonical SMILES for N-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-propylpiperidine-4-carboxamide is CCCC1(C(=O)NCc2scnc2C)CCNCC1.
What is the InChIKey of N-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-propylpiperidine-4-carboxamide?
The InChIKey is CYYFIUZMBFTUDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS/c1-3-4-14(5-7-15-8-6-14)13(18)16-9-12-11(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]-4-propylpiperidine-4-carboxamide?
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-propylpiperidine-4-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]-4-propylpiperidine-4-carboxamide is sourced from PubChem (CID 63280956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).