6-[(3-phenylpyrazolidin-4-yl)methyl]-N-(thiophen-2-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide

C23H30N4OS — CID 75099062

IUPAC6-[(3-phenylpyrazolidin-4-yl)methyl]-N-(thiophen-2-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide
SMILESO=C(NCc1cccs1)C1CC12CCN(CC1CNNC1c1ccccc1)CC2
InChIInChI=1S/C23H30N4OS/c28-22(24-15-19-7-4-12-29-19)20-13-23(20)8-10-27(11-9-23)16-18-14-25-26-21(18)17-5-2-1-3-6-17/h1-7,12,18,20-21,25-26H,8-11,13-16H2,(H,24,28)
InChIKeyNBMOHYNMSDPBEQ-UHFFFAOYSA-N
MW410.59 g/mol
LogP2.93
Rot. Bonds6

About 6-[(3-phenylpyrazolidin-4-yl)methyl]-N-(thiophen-2-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide

6-[(3-phenylpyrazolidin-4-yl)methyl]-N-(thiophen-2-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide (PubChem CID 75099062) has the molecular formula C23H30N4OS and a molecular weight of 410.59 g/mol. Its IUPAC name is 6-[(3-phenylpyrazolidin-4-yl)methyl]-N-(thiophen-2-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide.

Molecular Properties

Compound Name6-[(3-phenylpyrazolidin-4-yl)methyl]-N-(thiophen-2-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide
PubChem CID75099062
Molecular FormulaC23H30N4OS
Molecular Weight410.59 g/mol
Exact Mass410.21
IUPAC Name6-[(3-phenylpyrazolidin-4-yl)methyl]-N-(thiophen-2-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide
SMILESO=C(NCc1cccs1)C1CC12CCN(CC1CNNC1c1ccccc1)CC2
InChIInChI=1S/C23H30N4OS/c28-22(24-15-19-7-4-12-29-19)20-13-23(20)8-10-27(11-9-23)16-18-14-25-26-21(18)17-5-2-1-3-6-17/h1-7,12,18,20-21,25-26H,8-11,13-16H2,(H,24,28)
InChIKeyNBMOHYNMSDPBEQ-UHFFFAOYSA-N
XLogP2.93
TPSA56.40 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.59
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 6-[(3-phenylpyrazolidin-4-yl)methyl]-N-(thiophen-2-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide with MolForge

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Related Compounds

(2R)-6-(3-phenylprop-2-ynoyl)-N-(thiophen-2-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 125170674
(2S)-6-[(4-acetamidophenyl)methyl]-N-(thiophen-2-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 25295241
N-[2-(1H-indol-3-yl)ethyl]-6-[[3-(4-methoxyphenyl)pyrazolidin-4-yl]methyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 74802824
(2R)-6-(9H-fluoren-2-ylmethyl)-N-(thiophen-2-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 26325970
6-[(1,3-diphenylpyrazol-4-yl)methyl]-N-(thiophen-2-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 45218975
N-(2-phenylethyl)-6-(thiophen-2-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 126464637
(2S,3S)-5-N,5-N-dimethyl-2-N-(thiophen-2-ylmethyl)-5-azaspiro[2.4]heptane-2,5-dicarboxamide
CID 97493385
(2R,3S)-5-(cyclopentanecarbonyl)-N-(thiophen-2-ylmethyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 97493399
(2R,3S)-5-(3-methylbutanoyl)-N-(thiophen-2-ylmethyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 97493377
(2S,3S)-5-[2-(4-fluorophenyl)acetyl]-N-(thiophen-2-ylmethyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 97493354
5-(4-chlorobenzoyl)-N-(thiophen-2-ylmethyl)-5-azaspiro[2.4]heptane-2-carboxamide
CID 131662437
(2S,3R)-5-N-cyclohexyl-2-N-(thiophen-2-ylmethyl)-5-azaspiro[2.4]heptane-2,5-dicarboxamide
CID 97493408

Frequently Asked Questions

What is the IUPAC name of 6-[(3-phenylpyrazolidin-4-yl)methyl]-N-(thiophen-2-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide?
The IUPAC name of 6-[(3-phenylpyrazolidin-4-yl)methyl]-N-(thiophen-2-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide (CID 75099062) is 6-[(3-phenylpyrazolidin-4-yl)methyl]-N-(thiophen-2-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide.
What is the SMILES notation for 6-[(3-phenylpyrazolidin-4-yl)methyl]-N-(thiophen-2-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide?
The canonical SMILES for 6-[(3-phenylpyrazolidin-4-yl)methyl]-N-(thiophen-2-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide is O=C(NCc1cccs1)C1CC12CCN(CC1CNNC1c1ccccc1)CC2.
What is the InChIKey of 6-[(3-phenylpyrazolidin-4-yl)methyl]-N-(thiophen-2-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide?
The InChIKey is NBMOHYNMSDPBEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4OS/c28-22(24-15-19-7-4-12-29-19)20-13-23(20)8-10-27(11-9-23)16-18-14-25-26-21(18)17-5-2-1-3-6-17/h1-7,12,18,20-21,25-26H,8-11,13-16H2,(H,24,28).
What are the key properties of 6-[(3-phenylpyrazolidin-4-yl)methyl]-N-(thiophen-2-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide?
6-[(3-phenylpyrazolidin-4-yl)methyl]-N-(thiophen-2-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide has a molecular weight of 410.59 g/mol, XLogP of 2.93, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-phenylpyrazolidin-4-yl)methyl]-N-(thiophen-2-ylmethyl)-6-azaspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 75099062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).