N-[6-[(5-chloro-2-pyridinyl)methyl]-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide

C20H24ClN3OS — CID 128994950

IUPACN-[6-[(5-chloro-2-pyridinyl)methyl]-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide
SMILESCC(=O)N(Cc1ccsc1)C1CC12CCN(Cc1ccc(Cl)cn1)CC2
InChIInChI=1S/C20H24ClN3OS/c1-15(25)24(12-16-4-9-26-14-16)19-10-20(19)5-7-23(8-6-20)13-18-3-2-17(21)11-22-18/h2-4,9,11,14,19H,5-8,10,12-13H2,1H3
InChIKeyIXPHVAOZYJYPMZ-UHFFFAOYSA-N
MW389.95 g/mol
LogP4.20
Rot. Bonds5

About N-[6-[(5-chloro-2-pyridinyl)methyl]-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide

N-[6-[(5-chloro-2-pyridinyl)methyl]-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide (PubChem CID 128994950) has the molecular formula C20H24ClN3OS and a molecular weight of 389.95 g/mol. Its IUPAC name is N-[6-[(5-chloro-2-pyridinyl)methyl]-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide.

Molecular Properties

Compound NameN-[6-[(5-chloro-2-pyridinyl)methyl]-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide
PubChem CID128994950
Molecular FormulaC20H24ClN3OS
Molecular Weight389.95 g/mol
Exact Mass389.13
IUPAC NameN-[6-[(5-chloro-2-pyridinyl)methyl]-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide
SMILESCC(=O)N(Cc1ccsc1)C1CC12CCN(Cc1ccc(Cl)cn1)CC2
InChIInChI=1S/C20H24ClN3OS/c1-15(25)24(12-16-4-9-26-14-16)19-10-20(19)5-7-23(8-6-20)13-18-3-2-17(21)11-22-18/h2-4,9,11,14,19H,5-8,10,12-13H2,1H3
InChIKeyIXPHVAOZYJYPMZ-UHFFFAOYSA-N
XLogP4.20
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.95
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-6-(5-chloropyrimidin-2-yl)-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide
CID 129475873
N-[(2S)-6-(pyrimidin-5-ylmethyl)-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide
CID 129341789
N-[(2R)-6-[(1-ethylpyrazol-4-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide
CID 129337393
N-(6-acetyl-6-azaspiro[2.5]octan-2-yl)-N-(thiophen-3-ylmethyl)acetamide
CID 146129102
N-[(2R)-6-[(1-methylpyrrol-2-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide
CID 129477100
(2S)-2-[acetyl(thiophen-3-ylmethyl)amino]-N,N-dimethyl-6-azaspiro[2.5]octane-6-carboxamide
CID 125138274
N-[(2S)-6-[(2S)-2-hydroxy-3-methoxypropyl]-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide
CID 129478324
N-[6-[(2S)-2-hydroxy-3-methoxypropyl]-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide
CID 128971240
N-[(2R)-6-(5-cyanopyrazin-2-yl)-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide
CID 129475710
N-[6-(5-cyano-2-pyridinyl)-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide
CID 128972946
N-(thiophen-3-ylmethyl)-N-[6-[2-(2,2,2-trifluoroethoxy)ethyl]-6-azaspiro[2.5]octan-2-yl]acetamide
CID 167759982
N-[(2R)-6-[(3S)-oxolan-3-yl]-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide
CID 124881189

Frequently Asked Questions

What is the IUPAC name of N-[6-[(5-chloro-2-pyridinyl)methyl]-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide?
The IUPAC name of N-[6-[(5-chloro-2-pyridinyl)methyl]-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide (CID 128994950) is N-[6-[(5-chloro-2-pyridinyl)methyl]-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide.
What is the SMILES notation for N-[6-[(5-chloro-2-pyridinyl)methyl]-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide?
The canonical SMILES for N-[6-[(5-chloro-2-pyridinyl)methyl]-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide is CC(=O)N(Cc1ccsc1)C1CC12CCN(Cc1ccc(Cl)cn1)CC2.
What is the InChIKey of N-[6-[(5-chloro-2-pyridinyl)methyl]-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide?
The InChIKey is IXPHVAOZYJYPMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3OS/c1-15(25)24(12-16-4-9-26-14-16)19-10-20(19)5-7-23(8-6-20)13-18-3-2-17(21)11-22-18/h2-4,9,11,14,19H,5-8,10,12-13H2,1H3.
What are the key properties of N-[6-[(5-chloro-2-pyridinyl)methyl]-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide?
N-[6-[(5-chloro-2-pyridinyl)methyl]-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide has a molecular weight of 389.95 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(5-chloro-2-pyridinyl)methyl]-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide is sourced from PubChem (CID 128994950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).