N-(6-azaspiro[2.5]octan-2-yl)-3-(1-methylpyrazol-4-yl)-N-(thiophen-3-ylmethyl)propanamide

C19H26N4OS — CID 128993528

IUPACN-(6-azaspiro[2.5]octan-2-yl)-3-(1-methylpyrazol-4-yl)-N-(thiophen-3-ylmethyl)propanamide
SMILESCn1cc(CCC(=O)N(Cc2ccsc2)C2CC23CCNCC3)cn1
InChIInChI=1S/C19H26N4OS/c1-22-12-15(11-21-22)2-3-18(24)23(13-16-4-9-25-14-16)17-10-19(17)5-7-20-8-6-19/h4,9,11-12,14,17,20H,2-3,5-8,10,13H2,1H3
InChIKeyQLAYOHWULQBTNL-UHFFFAOYSA-N
MW358.51 g/mol
LogP2.59
Rot. Bonds6

About N-(6-azaspiro[2.5]octan-2-yl)-3-(1-methylpyrazol-4-yl)-N-(thiophen-3-ylmethyl)propanamide

N-(6-azaspiro[2.5]octan-2-yl)-3-(1-methylpyrazol-4-yl)-N-(thiophen-3-ylmethyl)propanamide (PubChem CID 128993528) has the molecular formula C19H26N4OS and a molecular weight of 358.51 g/mol. Its IUPAC name is N-(6-azaspiro[2.5]octan-2-yl)-3-(1-methylpyrazol-4-yl)-N-(thiophen-3-ylmethyl)propanamide.

Molecular Properties

Compound NameN-(6-azaspiro[2.5]octan-2-yl)-3-(1-methylpyrazol-4-yl)-N-(thiophen-3-ylmethyl)propanamide
PubChem CID128993528
Molecular FormulaC19H26N4OS
Molecular Weight358.51 g/mol
Exact Mass358.18
IUPAC NameN-(6-azaspiro[2.5]octan-2-yl)-3-(1-methylpyrazol-4-yl)-N-(thiophen-3-ylmethyl)propanamide
SMILESCn1cc(CCC(=O)N(Cc2ccsc2)C2CC23CCNCC3)cn1
InChIInChI=1S/C19H26N4OS/c1-22-12-15(11-21-22)2-3-18(24)23(13-16-4-9-25-14-16)17-10-19(17)5-7-20-8-6-19/h4,9,11-12,14,17,20H,2-3,5-8,10,13H2,1H3
InChIKeyQLAYOHWULQBTNL-UHFFFAOYSA-N
XLogP2.59
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-6-azaspiro[2.5]octan-2-yl]-3-pyridin-2-yl-N-(thiophen-3-ylmethyl)propanamide
CID 129466575
N-(6-azaspiro[2.5]octan-2-yl)-2-(4-oxo-1,3-thiazolidin-3-yl)-N-(thiophen-3-ylmethyl)acetamide
CID 129008141
N-[(2R)-6-azaspiro[2.5]octan-2-yl]-2-(2-methoxyphenyl)-N-(thiophen-3-ylmethyl)acetamide
CID 129475653
3-amino-N-(6-azaspiro[2.5]octan-2-yl)-3-cyclopropyl-N-(thiophen-3-ylmethyl)propanamide
CID 128994548
(2R)-N-[(2R)-6-azaspiro[2.5]octan-2-yl]-N-(thiophen-3-ylmethyl)-6-oxaspiro[2.5]octane-2-carboxamide
CID 129344233
N-[(2R)-6-azaspiro[2.5]octan-2-yl]-4-fluoro-N-(thiophen-3-ylmethyl)benzamide
CID 129465975
(2S)-2-amino-N-[(2R)-6-azaspiro[2.5]octan-2-yl]-2-phenyl-N-(thiophen-3-ylmethyl)acetamide
CID 129338999
cis-(1R,2S)-N-[(2S)-6-azaspiro[2.5]octan-2-yl]-2-cyclopropyl-N-(thiophen-3-ylmethyl)cyclopropane-1-carboxamide
CID 129465946
N-(6-azaspiro[2.5]octan-2-yl)-N-(thiophen-3-ylmethyl)-1,2-oxazole-3-carboxamide;hydrochloride
CID 129001221
N-[(2S)-6-azaspiro[2.5]octan-2-yl]-3-chloro-N-(thiophen-3-ylmethyl)pyridine-4-carboxamide
CID 129466008
N-[(2R)-6-azaspiro[2.5]octan-2-yl]-4-chloro-N-(thiophen-3-ylmethyl)-1H-pyrrole-2-carboxamide
CID 129473894
N-[(2S)-6-azaspiro[2.5]octan-2-yl]-6-oxo-N-(thiophen-3-ylmethyl)-1H-pyridazine-3-carboxamide
CID 99778402

Frequently Asked Questions

What is the IUPAC name of N-(6-azaspiro[2.5]octan-2-yl)-3-(1-methylpyrazol-4-yl)-N-(thiophen-3-ylmethyl)propanamide?
The IUPAC name of N-(6-azaspiro[2.5]octan-2-yl)-3-(1-methylpyrazol-4-yl)-N-(thiophen-3-ylmethyl)propanamide (CID 128993528) is N-(6-azaspiro[2.5]octan-2-yl)-3-(1-methylpyrazol-4-yl)-N-(thiophen-3-ylmethyl)propanamide.
What is the SMILES notation for N-(6-azaspiro[2.5]octan-2-yl)-3-(1-methylpyrazol-4-yl)-N-(thiophen-3-ylmethyl)propanamide?
The canonical SMILES for N-(6-azaspiro[2.5]octan-2-yl)-3-(1-methylpyrazol-4-yl)-N-(thiophen-3-ylmethyl)propanamide is Cn1cc(CCC(=O)N(Cc2ccsc2)C2CC23CCNCC3)cn1.
What is the InChIKey of N-(6-azaspiro[2.5]octan-2-yl)-3-(1-methylpyrazol-4-yl)-N-(thiophen-3-ylmethyl)propanamide?
The InChIKey is QLAYOHWULQBTNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4OS/c1-22-12-15(11-21-22)2-3-18(24)23(13-16-4-9-25-14-16)17-10-19(17)5-7-20-8-6-19/h4,9,11-12,14,17,20H,2-3,5-8,10,13H2,1H3.
What are the key properties of N-(6-azaspiro[2.5]octan-2-yl)-3-(1-methylpyrazol-4-yl)-N-(thiophen-3-ylmethyl)propanamide?
N-(6-azaspiro[2.5]octan-2-yl)-3-(1-methylpyrazol-4-yl)-N-(thiophen-3-ylmethyl)propanamide has a molecular weight of 358.51 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-azaspiro[2.5]octan-2-yl)-3-(1-methylpyrazol-4-yl)-N-(thiophen-3-ylmethyl)propanamide is sourced from PubChem (CID 128993528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).