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

C14H23N3OS — CID 62212128

IUPACN-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-piperidin-4-ylpropanamide
SMILESCc1ncc(CN(C)C(=O)CCC2CCNCC2)s1
InChIInChI=1S/C14H23N3OS/c1-11-16-9-13(19-11)10-17(2)14(18)4-3-12-5-7-15-8-6-12/h9,12,15H,3-8,10H2,1-2H3
InChIKeyNYDVUCYRTGZUAR-UHFFFAOYSA-N
MW281.42 g/mol
LogP2.19
Rot. Bonds5

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

N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-piperidin-4-ylpropanamide (PubChem CID 62212128) has the molecular formula C14H23N3OS and a molecular weight of 281.42 g/mol. Its IUPAC name is N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-piperidin-4-ylpropanamide.

Molecular Properties

Compound NameN-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-piperidin-4-ylpropanamide
PubChem CID62212128
Molecular FormulaC14H23N3OS
Molecular Weight281.42 g/mol
Exact Mass281.16
IUPAC NameN-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-piperidin-4-ylpropanamide
SMILESCc1ncc(CN(C)C(=O)CCC2CCNCC2)s1
InChIInChI=1S/C14H23N3OS/c1-11-16-9-13(19-11)10-17(2)14(18)4-3-12-5-7-15-8-6-12/h9,12,15H,3-8,10H2,1-2H3
InChIKeyNYDVUCYRTGZUAR-UHFFFAOYSA-N
XLogP2.19
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-piperidin-4-ylpropanamide?
The IUPAC name of N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-piperidin-4-ylpropanamide (CID 62212128) is N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-piperidin-4-ylpropanamide.
What is the SMILES notation for N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-piperidin-4-ylpropanamide?
The canonical SMILES for N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-piperidin-4-ylpropanamide is Cc1ncc(CN(C)C(=O)CCC2CCNCC2)s1.
What is the InChIKey of N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-piperidin-4-ylpropanamide?
The InChIKey is NYDVUCYRTGZUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS/c1-11-16-9-13(19-11)10-17(2)14(18)4-3-12-5-7-15-8-6-12/h9,12,15H,3-8,10H2,1-2H3.
What are the key properties of N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-piperidin-4-ylpropanamide?
N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-piperidin-4-ylpropanamide has a molecular weight of 281.42 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-piperidin-4-ylpropanamide is sourced from PubChem (CID 62212128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).