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

C13H21N3OS — CID 62211468

IUPACN-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-piperidin-4-ylpropanamide
SMILESCc1nc(CNC(=O)CCC2CCNCC2)cs1
InChIInChI=1S/C13H21N3OS/c1-10-16-12(9-18-10)8-15-13(17)3-2-11-4-6-14-7-5-11/h9,11,14H,2-8H2,1H3,(H,15,17)
InChIKeyHNLMFWWXWGEZTL-UHFFFAOYSA-N
MW267.40 g/mol
LogP1.85
Rot. Bonds5

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

N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-piperidin-4-ylpropanamide (PubChem CID 62211468) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-piperidin-4-ylpropanamide.

Molecular Properties

Compound NameN-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-piperidin-4-ylpropanamide
PubChem CID62211468
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC NameN-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-piperidin-4-ylpropanamide
SMILESCc1nc(CNC(=O)CCC2CCNCC2)cs1
InChIInChI=1S/C13H21N3OS/c1-10-16-12(9-18-10)8-15-13(17)3-2-11-4-6-14-7-5-11/h9,11,14H,2-8H2,1H3,(H,15,17)
InChIKeyHNLMFWWXWGEZTL-UHFFFAOYSA-N
XLogP1.85
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-piperidin-4-ylacetamide
CID 61284018
3-(tert-butylamino)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanamide
CID 61283822
methyl 4-[(2-methyl-1,3-thiazol-4-yl)methylamino]-4-oxobutanoate
CID 47290724
5-[(2-methyl-1,3-thiazol-4-yl)methylamino]-5-oxopentanoic acid
CID 61282819
N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-piperidin-4-ylpropan-1-amine
CID 62214312
2-bromo-N-[(2-methyl-1,3-thiazol-4-yl)methyl]acetamide
CID 63680112
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 63284576
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-4-oxo-4-phenylbutanamide
CID 47290668
N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidine-2-carboxamide
CID 61285801
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-5-oxo-5-phenylpentanamide
CID 108737365
N-[(2-chlorophenyl)methyl]-3-piperidin-4-ylpropanamide
CID 62212576
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-piperidin-4-ylpropanamide
CID 115989866

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-piperidin-4-ylpropanamide?
The IUPAC name of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-piperidin-4-ylpropanamide (CID 62211468) is N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-piperidin-4-ylpropanamide.
What is the SMILES notation for N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-piperidin-4-ylpropanamide?
The canonical SMILES for N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-piperidin-4-ylpropanamide is Cc1nc(CNC(=O)CCC2CCNCC2)cs1.
What is the InChIKey of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-piperidin-4-ylpropanamide?
The InChIKey is HNLMFWWXWGEZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-10-16-12(9-18-10)8-15-13(17)3-2-11-4-6-14-7-5-11/h9,11,14H,2-8H2,1H3,(H,15,17).
What are the key properties of N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-piperidin-4-ylpropanamide?
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-piperidin-4-ylpropanamide has a molecular weight of 267.40 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-piperidin-4-ylpropanamide is sourced from PubChem (CID 62211468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).