N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-piperidin-4-yloxypropanamide

C14H23N3O2S — CID 63904309

IUPACN-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-piperidin-4-yloxypropanamide
SMILESCc1nc(CN(C)C(=O)CCOC2CCNCC2)cs1
InChIInChI=1S/C14H23N3O2S/c1-11-16-12(10-20-11)9-17(2)14(18)5-8-19-13-3-6-15-7-4-13/h10,13,15H,3-9H2,1-2H3
InChIKeyNLKWJSCUBWVGOV-UHFFFAOYSA-N
MW297.42 g/mol
LogP1.57
Rot. Bonds6

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

N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-piperidin-4-yloxypropanamide (PubChem CID 63904309) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-piperidin-4-yloxypropanamide.

Molecular Properties

Compound NameN-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-piperidin-4-yloxypropanamide
PubChem CID63904309
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC NameN-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-piperidin-4-yloxypropanamide
SMILESCc1nc(CN(C)C(=O)CCOC2CCNCC2)cs1
InChIInChI=1S/C14H23N3O2S/c1-11-16-12(10-20-11)9-17(2)14(18)5-8-19-13-3-6-15-7-4-13/h10,13,15H,3-9H2,1-2H3
InChIKeyNLKWJSCUBWVGOV-UHFFFAOYSA-N
XLogP1.57
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-piperidin-4-yloxypropanamide?
The IUPAC name of N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-piperidin-4-yloxypropanamide (CID 63904309) is N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-piperidin-4-yloxypropanamide.
What is the SMILES notation for N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-piperidin-4-yloxypropanamide?
The canonical SMILES for N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-piperidin-4-yloxypropanamide is Cc1nc(CN(C)C(=O)CCOC2CCNCC2)cs1.
What is the InChIKey of N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-piperidin-4-yloxypropanamide?
The InChIKey is NLKWJSCUBWVGOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-11-16-12(10-20-11)9-17(2)14(18)5-8-19-13-3-6-15-7-4-13/h10,13,15H,3-9H2,1-2H3.
What are the key properties of N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-piperidin-4-yloxypropanamide?
N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-piperidin-4-yloxypropanamide has a molecular weight of 297.42 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-piperidin-4-yloxypropanamide is sourced from PubChem (CID 63904309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).