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

C20H28N4OS2 — CID 131934364

IUPACN-[[1-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NCC1CCN(Cc2cnc(N3CCCC3)s2)CC1
InChIInChI=1S/C20H28N4OS2/c25-19(12-17-4-3-11-26-17)21-13-16-5-9-23(10-6-16)15-18-14-22-20(27-18)24-7-1-2-8-24/h3-4,11,14,16H,1-2,5-10,12-13,15H2,(H,21,25)
InChIKeyURZMFQBCENWAHD-UHFFFAOYSA-N
MW404.61 g/mol
LogP3.38
Rot. Bonds7

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

N-[[1-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methyl]-2-thiophen-2-ylacetamide (PubChem CID 131934364) has the molecular formula C20H28N4OS2 and a molecular weight of 404.61 g/mol. Its IUPAC name is N-[[1-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[[1-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methyl]-2-thiophen-2-ylacetamide
PubChem CID131934364
Molecular FormulaC20H28N4OS2
Molecular Weight404.61 g/mol
Exact Mass404.17
IUPAC NameN-[[1-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NCC1CCN(Cc2cnc(N3CCCC3)s2)CC1
InChIInChI=1S/C20H28N4OS2/c25-19(12-17-4-3-11-26-17)21-13-16-5-9-23(10-6-16)15-18-14-22-20(27-18)24-7-1-2-8-24/h3-4,11,14,16H,1-2,5-10,12-13,15H2,(H,21,25)
InChIKeyURZMFQBCENWAHD-UHFFFAOYSA-N
XLogP3.38
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.61
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(5-methylthiophen-2-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide
CID 49055900
2-amino-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide
CID 119865468
N'-cyclohexyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]oxamide
CID 16887351
2-cyclopentyloxy-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide
CID 49056121
4-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]pentanamide
CID 49056824
2-(3,4-dimethoxyphenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide
CID 16896261
2-(4-propoxyphenoxy)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide
CID 49056925
4-(methylamino)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]butanamide
CID 119865435
(Z)-3-cyclopropyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]but-2-enamide
CID 49056027
(3R)-3-cyclopropyl-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]butanamide
CID 94820546
N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]-2-thiophen-2-ylacetamide
CID 90521329
3,4-dichloro-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16896234

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[[1-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methyl]-2-thiophen-2-ylacetamide (CID 131934364) is N-[[1-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[[1-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[[1-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methyl]-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)NCC1CCN(Cc2cnc(N3CCCC3)s2)CC1.
What is the InChIKey of N-[[1-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methyl]-2-thiophen-2-ylacetamide?
The InChIKey is URZMFQBCENWAHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4OS2/c25-19(12-17-4-3-11-26-17)21-13-16-5-9-23(10-6-16)15-18-14-22-20(27-18)24-7-1-2-8-24/h3-4,11,14,16H,1-2,5-10,12-13,15H2,(H,21,25).
What are the key properties of N-[[1-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methyl]-2-thiophen-2-ylacetamide?
N-[[1-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methyl]-2-thiophen-2-ylacetamide has a molecular weight of 404.61 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]methyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 131934364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).