N,N-diethyl-3-[1-(5-methyl-1,3-thiazol-2-yl)piperidin-4-yl]propanamide

C16H27N3OS — CID 99843600

IUPACN,N-diethyl-3-[1-(5-methyl-1,3-thiazol-2-yl)piperidin-4-yl]propanamide
SMILESCCN(CC)C(=O)CCC1CCN(c2ncc(C)s2)CC1
InChIInChI=1S/C16H27N3OS/c1-4-18(5-2)15(20)7-6-14-8-10-19(11-9-14)16-17-12-13(3)21-16/h12,14H,4-11H2,1-3H3
InChIKeyBSLGLXHSEKRTEC-UHFFFAOYSA-N
MW309.48 g/mol
LogP3.32
Rot. Bonds6

About N,N-diethyl-3-[1-(5-methyl-1,3-thiazol-2-yl)piperidin-4-yl]propanamide

N,N-diethyl-3-[1-(5-methyl-1,3-thiazol-2-yl)piperidin-4-yl]propanamide (PubChem CID 99843600) has the molecular formula C16H27N3OS and a molecular weight of 309.48 g/mol. Its IUPAC name is N,N-diethyl-3-[1-(5-methyl-1,3-thiazol-2-yl)piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN,N-diethyl-3-[1-(5-methyl-1,3-thiazol-2-yl)piperidin-4-yl]propanamide
PubChem CID99843600
Molecular FormulaC16H27N3OS
Molecular Weight309.48 g/mol
Exact Mass309.19
IUPAC NameN,N-diethyl-3-[1-(5-methyl-1,3-thiazol-2-yl)piperidin-4-yl]propanamide
SMILESCCN(CC)C(=O)CCC1CCN(c2ncc(C)s2)CC1
InChIInChI=1S/C16H27N3OS/c1-4-18(5-2)15(20)7-6-14-8-10-19(11-9-14)16-17-12-13(3)21-16/h12,14H,4-11H2,1-3H3
InChIKeyBSLGLXHSEKRTEC-UHFFFAOYSA-N
XLogP3.32
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.48
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[1-(5-methyl-1,3-thiazol-2-yl)piperidin-4-yl]propanamide?
The IUPAC name of N,N-diethyl-3-[1-(5-methyl-1,3-thiazol-2-yl)piperidin-4-yl]propanamide (CID 99843600) is N,N-diethyl-3-[1-(5-methyl-1,3-thiazol-2-yl)piperidin-4-yl]propanamide.
What is the SMILES notation for N,N-diethyl-3-[1-(5-methyl-1,3-thiazol-2-yl)piperidin-4-yl]propanamide?
The canonical SMILES for N,N-diethyl-3-[1-(5-methyl-1,3-thiazol-2-yl)piperidin-4-yl]propanamide is CCN(CC)C(=O)CCC1CCN(c2ncc(C)s2)CC1.
What is the InChIKey of N,N-diethyl-3-[1-(5-methyl-1,3-thiazol-2-yl)piperidin-4-yl]propanamide?
The InChIKey is BSLGLXHSEKRTEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3OS/c1-4-18(5-2)15(20)7-6-14-8-10-19(11-9-14)16-17-12-13(3)21-16/h12,14H,4-11H2,1-3H3.
What are the key properties of N,N-diethyl-3-[1-(5-methyl-1,3-thiazol-2-yl)piperidin-4-yl]propanamide?
N,N-diethyl-3-[1-(5-methyl-1,3-thiazol-2-yl)piperidin-4-yl]propanamide has a molecular weight of 309.48 g/mol, XLogP of 3.32, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-[1-(5-methyl-1,3-thiazol-2-yl)piperidin-4-yl]propanamide is sourced from PubChem (CID 99843600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).