3-(1-methylpiperidin-3-yl)-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]propanamide

C17H28N4OS — CID 72868563

IUPAC3-(1-methylpiperidin-3-yl)-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]propanamide
SMILESCN1CCCC(CCC(=O)NCc2csc(N3CCCC3)n2)C1
InChIInChI=1S/C17H28N4OS/c1-20-8-4-5-14(12-20)6-7-16(22)18-11-15-13-23-17(19-15)21-9-2-3-10-21/h13-14H,2-12H2,1H3,(H,18,22)
InChIKeyUDAIEVWUXXNXEC-UHFFFAOYSA-N
MW336.51 g/mol
LogP2.48
Rot. Bonds6

About 3-(1-methylpiperidin-3-yl)-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]propanamide

3-(1-methylpiperidin-3-yl)-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]propanamide (PubChem CID 72868563) has the molecular formula C17H28N4OS and a molecular weight of 336.51 g/mol. Its IUPAC name is 3-(1-methylpiperidin-3-yl)-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(1-methylpiperidin-3-yl)-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]propanamide
PubChem CID72868563
Molecular FormulaC17H28N4OS
Molecular Weight336.51 g/mol
Exact Mass336.20
IUPAC Name3-(1-methylpiperidin-3-yl)-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]propanamide
SMILESCN1CCCC(CCC(=O)NCc2csc(N3CCCC3)n2)C1
InChIInChI=1S/C17H28N4OS/c1-20-8-4-5-14(12-20)6-7-16(22)18-11-15-13-23-17(19-15)21-9-2-3-10-21/h13-14H,2-12H2,1H3,(H,18,22)
InChIKeyUDAIEVWUXXNXEC-UHFFFAOYSA-N
XLogP2.48
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.51
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2S)-1-methylpiperidin-2-yl]-N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]propanamide
CID 97200731
N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 70779660
N-[(2,5-dimethylpyrazol-3-yl)methyl]-3-[(3S)-1-methylpiperidin-3-yl]propanamide
CID 97146849
cis-(1S,3R)-3-amino-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]cyclopentane-1-carboxamide
CID 56908759
2-(2,5-dioxo-1-propylimidazolidin-4-yl)-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 91830066
4-amino-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]pentanamide
CID 120565652
N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]-4-piperidin-1-ylbutanamide
CID 72852420
N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-3-[(3R)-1-methylpiperidin-3-yl]propanamide
CID 97198797
5-[[3-[(3R)-1-methylpiperidin-3-yl]propanoylamino]methyl]-1,2,4-oxadiazole-3-carboxamide
CID 97191905
N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[(2S)-1-methylpiperidin-2-yl]propanamide
CID 97192165
3-cyclohexyl-N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]propanamide
CID 122352211
N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]cyclobutanecarboxamide
CID 110398101

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpiperidin-3-yl)-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]propanamide?
The IUPAC name of 3-(1-methylpiperidin-3-yl)-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]propanamide (CID 72868563) is 3-(1-methylpiperidin-3-yl)-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]propanamide.
What is the SMILES notation for 3-(1-methylpiperidin-3-yl)-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]propanamide?
The canonical SMILES for 3-(1-methylpiperidin-3-yl)-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]propanamide is CN1CCCC(CCC(=O)NCc2csc(N3CCCC3)n2)C1.
What is the InChIKey of 3-(1-methylpiperidin-3-yl)-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]propanamide?
The InChIKey is UDAIEVWUXXNXEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4OS/c1-20-8-4-5-14(12-20)6-7-16(22)18-11-15-13-23-17(19-15)21-9-2-3-10-21/h13-14H,2-12H2,1H3,(H,18,22).
What are the key properties of 3-(1-methylpiperidin-3-yl)-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]propanamide?
3-(1-methylpiperidin-3-yl)-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]propanamide has a molecular weight of 336.51 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpiperidin-3-yl)-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]propanamide is sourced from PubChem (CID 72868563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).