1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-propylpiperidine-4-carboxamide

C15H25N3OS — CID 53519126

IUPAC1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-propylpiperidine-4-carboxamide
SMILESCCCNC(=O)C1CCN(CC1)CC2=CSC(=N2)CC
InChIInChI=1S/C15H25N3OS/c1-3-7-16-15(19)12-5-8-18(9-6-12)10-13-11-20-14(4-2)17-13/h11-12H,3-10H2,1-2H3,(H,16,19)
InChIKeyRMBMDOXJUNOWDL-UHFFFAOYSA-N
MW295.40 g/mol
LogP2.30
Rot. Bonds6

About 1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-propylpiperidine-4-carboxamide

1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-propylpiperidine-4-carboxamide (PubChem CID 53519126) has the molecular formula C15H25N3OS and a molecular weight of 295.40 g/mol. Its IUPAC name is 1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-propylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-propylpiperidine-4-carboxamide
PubChem CID53519126
Molecular FormulaC15H25N3OS
Molecular Weight295.40 g/mol
Exact Mass295.17
IUPAC Name1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-propylpiperidine-4-carboxamide
SMILESCCCNC(=O)C1CCN(CC1)CC2=CSC(=N2)CC
InChIInChI=1S/C15H25N3OS/c1-3-7-16-15(19)12-5-8-18(9-6-12)10-13-11-20-14(4-2)17-13/h11-12H,3-10H2,1-2H3,(H,16,19)
InChIKeyRMBMDOXJUNOWDL-UHFFFAOYSA-N
XLogP2.30
TPSA73.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity305

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.40
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 45171544
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CID 45810788
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CID 47377169
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CID 49440653
CID 49440653
CID 51092653
CID 51092653
CID 53518138
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CID 53519583
CID 53519583

Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-propylpiperidine-4-carboxamide?
The IUPAC name of 1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-propylpiperidine-4-carboxamide (CID 53519126) is 1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-propylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-propylpiperidine-4-carboxamide?
The canonical SMILES for 1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-propylpiperidine-4-carboxamide is CCCNC(=O)C1CCN(CC1)CC2=CSC(=N2)CC.
What is the InChIKey of 1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-propylpiperidine-4-carboxamide?
The InChIKey is RMBMDOXJUNOWDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3OS/c1-3-7-16-15(19)12-5-8-18(9-6-12)10-13-11-20-14(4-2)17-13/h11-12H,3-10H2,1-2H3,(H,16,19).
What are the key properties of 1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-propylpiperidine-4-carboxamide?
1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-propylpiperidine-4-carboxamide has a molecular weight of 295.40 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethyl-1,3-thiazol-4-yl)methyl]-N-propylpiperidine-4-carboxamide is sourced from PubChem (CID 53519126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).