N-(6-acetyl-6-azaspiro[2.5]octan-2-yl)-1-methyl-N-(thiophen-3-ylmethyl)piperidine-2-carboxamide

C21H31N3O2S — CID 154773521

IUPACN-(6-acetyl-6-azaspiro[2.5]octan-2-yl)-1-methyl-N-(thiophen-3-ylmethyl)piperidine-2-carboxamide
SMILESCC(=O)N1CCC2(CC1)CC2N(Cc1ccsc1)C(=O)C1CCCCN1C
InChIInChI=1S/C21H31N3O2S/c1-16(25)23-10-7-21(8-11-23)13-19(21)24(14-17-6-12-27-15-17)20(26)18-5-3-4-9-22(18)2/h6,12,15,18-19H,3-5,7-11,13-14H2,1-2H3
InChIKeyAYLFBRWWVTZFBG-UHFFFAOYSA-N
MW389.57 g/mol
LogP2.96
Rot. Bonds4

About N-(6-acetyl-6-azaspiro[2.5]octan-2-yl)-1-methyl-N-(thiophen-3-ylmethyl)piperidine-2-carboxamide

N-(6-acetyl-6-azaspiro[2.5]octan-2-yl)-1-methyl-N-(thiophen-3-ylmethyl)piperidine-2-carboxamide (PubChem CID 154773521) has the molecular formula C21H31N3O2S and a molecular weight of 389.57 g/mol. Its IUPAC name is N-(6-acetyl-6-azaspiro[2.5]octan-2-yl)-1-methyl-N-(thiophen-3-ylmethyl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-(6-acetyl-6-azaspiro[2.5]octan-2-yl)-1-methyl-N-(thiophen-3-ylmethyl)piperidine-2-carboxamide
PubChem CID154773521
Molecular FormulaC21H31N3O2S
Molecular Weight389.57 g/mol
Exact Mass389.21
IUPAC NameN-(6-acetyl-6-azaspiro[2.5]octan-2-yl)-1-methyl-N-(thiophen-3-ylmethyl)piperidine-2-carboxamide
SMILESCC(=O)N1CCC2(CC1)CC2N(Cc1ccsc1)C(=O)C1CCCCN1C
InChIInChI=1S/C21H31N3O2S/c1-16(25)23-10-7-21(8-11-23)13-19(21)24(14-17-6-12-27-15-17)20(26)18-5-3-4-9-22(18)2/h6,12,15,18-19H,3-5,7-11,13-14H2,1-2H3
InChIKeyAYLFBRWWVTZFBG-UHFFFAOYSA-N
XLogP2.96
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.57
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-acetyl-6-azaspiro[2.5]octan-2-yl)-N-(thiophen-3-ylmethyl)acetamide
CID 146129102
(2S)-2-[acetyl(thiophen-3-ylmethyl)amino]-N,N-dimethyl-6-azaspiro[2.5]octane-6-carboxamide
CID 125138274
N-[6-(3-methylsulfanylpropanoyl)-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide
CID 128974534
N-[6-[3-(3-but-3-ynyldiazirin-3-yl)propanoyl]-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide
CID 167924727
N-[(2S)-6-(6-oxo-1H-pyridine-3-carbonyl)-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide
CID 129474223
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-[(1-methylpyrrol-2-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide
CID 129477100
N-[(2R)-6-[(3S)-oxolan-3-yl]-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide
CID 124881189
N-[(2S)-6-(pyrimidin-5-ylmethyl)-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide
CID 129341789
N-[(2S)-6-(5-chloropyrimidin-2-yl)-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide
CID 129475873
N-[(2R)-6-[(1-ethylpyrazol-4-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)acetamide
CID 129337393

Frequently Asked Questions

What is the IUPAC name of N-(6-acetyl-6-azaspiro[2.5]octan-2-yl)-1-methyl-N-(thiophen-3-ylmethyl)piperidine-2-carboxamide?
The IUPAC name of N-(6-acetyl-6-azaspiro[2.5]octan-2-yl)-1-methyl-N-(thiophen-3-ylmethyl)piperidine-2-carboxamide (CID 154773521) is N-(6-acetyl-6-azaspiro[2.5]octan-2-yl)-1-methyl-N-(thiophen-3-ylmethyl)piperidine-2-carboxamide.
What is the SMILES notation for N-(6-acetyl-6-azaspiro[2.5]octan-2-yl)-1-methyl-N-(thiophen-3-ylmethyl)piperidine-2-carboxamide?
The canonical SMILES for N-(6-acetyl-6-azaspiro[2.5]octan-2-yl)-1-methyl-N-(thiophen-3-ylmethyl)piperidine-2-carboxamide is CC(=O)N1CCC2(CC1)CC2N(Cc1ccsc1)C(=O)C1CCCCN1C.
What is the InChIKey of N-(6-acetyl-6-azaspiro[2.5]octan-2-yl)-1-methyl-N-(thiophen-3-ylmethyl)piperidine-2-carboxamide?
The InChIKey is AYLFBRWWVTZFBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O2S/c1-16(25)23-10-7-21(8-11-23)13-19(21)24(14-17-6-12-27-15-17)20(26)18-5-3-4-9-22(18)2/h6,12,15,18-19H,3-5,7-11,13-14H2,1-2H3.
What are the key properties of N-(6-acetyl-6-azaspiro[2.5]octan-2-yl)-1-methyl-N-(thiophen-3-ylmethyl)piperidine-2-carboxamide?
N-(6-acetyl-6-azaspiro[2.5]octan-2-yl)-1-methyl-N-(thiophen-3-ylmethyl)piperidine-2-carboxamide has a molecular weight of 389.57 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-acetyl-6-azaspiro[2.5]octan-2-yl)-1-methyl-N-(thiophen-3-ylmethyl)piperidine-2-carboxamide is sourced from PubChem (CID 154773521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).