(2S)-2-[1-(3-ethyl-6-azaspiro[3.4]octan-2-yl)piperidin-4-yl]-N-methylpyrrolidine-1-carboxamide

C20H36N4O — CID 161083086

IUPAC(2S)-2-[1-(3-ethyl-6-azaspiro[3.4]octan-2-yl)piperidin-4-yl]-N-methylpyrrolidine-1-carboxamide
SMILESCCC1C(N2CCC([C@@H]3CCCN3C(=O)NC)CC2)CC12CCNC2
InChIInChI=1S/C20H36N4O/c1-3-16-18(13-20(16)8-9-22-14-20)23-11-6-15(7-12-23)17-5-4-10-24(17)19(25)21-2/h15-18,22H,3-14H2,1-2H3,(H,21,25)/t16?,17-,18?,20?/m0/s1
InChIKeyUGDUWQZHJNAUEH-POAOYLCXSA-N
MW348.54 g/mol
LogP2.28
Rot. Bonds3

About (2S)-2-[1-(3-ethyl-6-azaspiro[3.4]octan-2-yl)piperidin-4-yl]-N-methylpyrrolidine-1-carboxamide

(2S)-2-[1-(3-ethyl-6-azaspiro[3.4]octan-2-yl)piperidin-4-yl]-N-methylpyrrolidine-1-carboxamide (PubChem CID 161083086) has the molecular formula C20H36N4O and a molecular weight of 348.54 g/mol. Its IUPAC name is (2S)-2-[1-(3-ethyl-6-azaspiro[3.4]octan-2-yl)piperidin-4-yl]-N-methylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-2-[1-(3-ethyl-6-azaspiro[3.4]octan-2-yl)piperidin-4-yl]-N-methylpyrrolidine-1-carboxamide
PubChem CID161083086
Molecular FormulaC20H36N4O
Molecular Weight348.54 g/mol
Exact Mass348.29
IUPAC Name(2S)-2-[1-(3-ethyl-6-azaspiro[3.4]octan-2-yl)piperidin-4-yl]-N-methylpyrrolidine-1-carboxamide
SMILESCCC1C(N2CCC([C@@H]3CCCN3C(=O)NC)CC2)CC12CCNC2
InChIInChI=1S/C20H36N4O/c1-3-16-18(13-20(16)8-9-22-14-20)23-11-6-15(7-12-23)17-5-4-10-24(17)19(25)21-2/h15-18,22H,3-14H2,1-2H3,(H,21,25)/t16?,17-,18?,20?/m0/s1
InChIKeyUGDUWQZHJNAUEH-POAOYLCXSA-N
XLogP2.28
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.54
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-3-[1-(3-ethyl-6-azaspiro[3.4]octan-2-yl)piperidin-4-yl]piperidin-2-one
CID 158953751
ethyl 2-[4-[(2R)-1-(methylcarbamoyl)pyrrolidin-2-yl]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate
CID 118294958
2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-(3-ethylpyrrolidin-3-yl)methanone
CID 65320934
(2-cyclopentylpyrrolidin-1-yl)-(4-methylpiperidin-4-yl)methanone
CID 63122988
N-ethyl-2-piperidin-4-ylazepane-1-carboxamide
CID 63904195
ethyl 2-[4-(3-azabicyclo[3.1.0]hexan-3-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-3-carboxylate
CID 159520645
ethyl 2-[4-[(2S)-1-(propan-2-ylcarbamoyl)pyrrolidin-2-yl]piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylate
CID 118295145
2-[1-[(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carbonylamino)methyl]cyclobutyl]acetic acid
CID 81155971
2-[(2-cyclopentylpyrrolidine-1-carbonyl)amino]-2-methylbutanoic acid
CID 79801990
3-ethyl-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]-6-azaspiro[3.4]octane-6-carboxylic acid
CID 135144771
N-ethyl-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine-1-carboxamide
CID 102680559
N-propyl-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide
CID 115599238

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[1-(3-ethyl-6-azaspiro[3.4]octan-2-yl)piperidin-4-yl]-N-methylpyrrolidine-1-carboxamide?
The IUPAC name of (2S)-2-[1-(3-ethyl-6-azaspiro[3.4]octan-2-yl)piperidin-4-yl]-N-methylpyrrolidine-1-carboxamide (CID 161083086) is (2S)-2-[1-(3-ethyl-6-azaspiro[3.4]octan-2-yl)piperidin-4-yl]-N-methylpyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-2-[1-(3-ethyl-6-azaspiro[3.4]octan-2-yl)piperidin-4-yl]-N-methylpyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-2-[1-(3-ethyl-6-azaspiro[3.4]octan-2-yl)piperidin-4-yl]-N-methylpyrrolidine-1-carboxamide is CCC1C(N2CCC([C@@H]3CCCN3C(=O)NC)CC2)CC12CCNC2.
What is the InChIKey of (2S)-2-[1-(3-ethyl-6-azaspiro[3.4]octan-2-yl)piperidin-4-yl]-N-methylpyrrolidine-1-carboxamide?
The InChIKey is UGDUWQZHJNAUEH-POAOYLCXSA-N. The full InChI is InChI=1S/C20H36N4O/c1-3-16-18(13-20(16)8-9-22-14-20)23-11-6-15(7-12-23)17-5-4-10-24(17)19(25)21-2/h15-18,22H,3-14H2,1-2H3,(H,21,25)/t16?,17-,18?,20?/m0/s1.
What are the key properties of (2S)-2-[1-(3-ethyl-6-azaspiro[3.4]octan-2-yl)piperidin-4-yl]-N-methylpyrrolidine-1-carboxamide?
(2S)-2-[1-(3-ethyl-6-azaspiro[3.4]octan-2-yl)piperidin-4-yl]-N-methylpyrrolidine-1-carboxamide has a molecular weight of 348.54 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[1-(3-ethyl-6-azaspiro[3.4]octan-2-yl)piperidin-4-yl]-N-methylpyrrolidine-1-carboxamide is sourced from PubChem (CID 161083086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).