1-propan-2-yl-N-[1-(1,3-thiazol-2-yl)propyl]piperidine-4-carboxamide

C15H25N3OS — CID 72871127

IUPAC1-propan-2-yl-N-[1-(1,3-thiazol-2-yl)propyl]piperidine-4-carboxamide
SMILESCCC(NC(=O)C1CCN(C(C)C)CC1)c1nccs1
InChIInChI=1S/C15H25N3OS/c1-4-13(15-16-7-10-20-15)17-14(19)12-5-8-18(9-6-12)11(2)3/h7,10-13H,4-6,8-9H2,1-3H3,(H,17,19)
InChIKeyDJEUNLDTPJBFNV-UHFFFAOYSA-N
MW295.45 g/mol
LogP2.83
Rot. Bonds5

About 1-propan-2-yl-N-[1-(1,3-thiazol-2-yl)propyl]piperidine-4-carboxamide

1-propan-2-yl-N-[1-(1,3-thiazol-2-yl)propyl]piperidine-4-carboxamide (PubChem CID 72871127) has the molecular formula C15H25N3OS and a molecular weight of 295.45 g/mol. Its IUPAC name is 1-propan-2-yl-N-[1-(1,3-thiazol-2-yl)propyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-propan-2-yl-N-[1-(1,3-thiazol-2-yl)propyl]piperidine-4-carboxamide
PubChem CID72871127
Molecular FormulaC15H25N3OS
Molecular Weight295.45 g/mol
Exact Mass295.17
IUPAC Name1-propan-2-yl-N-[1-(1,3-thiazol-2-yl)propyl]piperidine-4-carboxamide
SMILESCCC(NC(=O)C1CCN(C(C)C)CC1)c1nccs1
InChIInChI=1S/C15H25N3OS/c1-4-13(15-16-7-10-20-15)17-14(19)12-5-8-18(9-6-12)11(2)3/h7,10-13H,4-6,8-9H2,1-3H3,(H,17,19)
InChIKeyDJEUNLDTPJBFNV-UHFFFAOYSA-N
XLogP2.83
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-N-[1-(1,3-thiazol-2-yl)propyl]piperidine-4-carboxamide?
The IUPAC name of 1-propan-2-yl-N-[1-(1,3-thiazol-2-yl)propyl]piperidine-4-carboxamide (CID 72871127) is 1-propan-2-yl-N-[1-(1,3-thiazol-2-yl)propyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-propan-2-yl-N-[1-(1,3-thiazol-2-yl)propyl]piperidine-4-carboxamide?
The canonical SMILES for 1-propan-2-yl-N-[1-(1,3-thiazol-2-yl)propyl]piperidine-4-carboxamide is CCC(NC(=O)C1CCN(C(C)C)CC1)c1nccs1.
What is the InChIKey of 1-propan-2-yl-N-[1-(1,3-thiazol-2-yl)propyl]piperidine-4-carboxamide?
The InChIKey is DJEUNLDTPJBFNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3OS/c1-4-13(15-16-7-10-20-15)17-14(19)12-5-8-18(9-6-12)11(2)3/h7,10-13H,4-6,8-9H2,1-3H3,(H,17,19).
What are the key properties of 1-propan-2-yl-N-[1-(1,3-thiazol-2-yl)propyl]piperidine-4-carboxamide?
1-propan-2-yl-N-[1-(1,3-thiazol-2-yl)propyl]piperidine-4-carboxamide has a molecular weight of 295.45 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-N-[1-(1,3-thiazol-2-yl)propyl]piperidine-4-carboxamide is sourced from PubChem (CID 72871127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).