N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-2,8-diazaspiro[4.5]decane-2-carboxamide

C21H32N4O2 — CID 167788451

IUPACN-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-2,8-diazaspiro[4.5]decane-2-carboxamide
SMILESCOc1ccccc1N1CCC(CNC(=O)N2CCC3(CCNCC3)C2)C1
InChIInChI=1S/C21H32N4O2/c1-27-19-5-3-2-4-18(19)24-12-6-17(15-24)14-23-20(26)25-13-9-21(16-25)7-10-22-11-8-21/h2-5,17,22H,6-16H2,1H3,(H,23,26)
InChIKeyDLPKBZUTSJNELV-UHFFFAOYSA-N
MW372.51 g/mol
LogP2.31
Rot. Bonds4

About N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-2,8-diazaspiro[4.5]decane-2-carboxamide

N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-2,8-diazaspiro[4.5]decane-2-carboxamide (PubChem CID 167788451) has the molecular formula C21H32N4O2 and a molecular weight of 372.51 g/mol. Its IUPAC name is N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-2,8-diazaspiro[4.5]decane-2-carboxamide.

Molecular Properties

Compound NameN-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-2,8-diazaspiro[4.5]decane-2-carboxamide
PubChem CID167788451
Molecular FormulaC21H32N4O2
Molecular Weight372.51 g/mol
Exact Mass372.25
IUPAC NameN-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-2,8-diazaspiro[4.5]decane-2-carboxamide
SMILESCOc1ccccc1N1CCC(CNC(=O)N2CCC3(CCNCC3)C2)C1
InChIInChI=1S/C21H32N4O2/c1-27-19-5-3-2-4-18(19)24-12-6-17(15-24)14-23-20(26)25-13-9-21(16-25)7-10-22-11-8-21/h2-5,17,22H,6-16H2,1H3,(H,23,26)
InChIKeyDLPKBZUTSJNELV-UHFFFAOYSA-N
XLogP2.31
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-fluorobenzoyl)-N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]piperazine-1-carboxamide
CID 86876609
N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-4-(methylamino)butanamide
CID 119870925
1-[[(3R)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-3-[(2R)-3-methylbutan-2-yl]urea
CID 95141065
2-amino-N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-methylpropanamide
CID 119870921
N-ethyl-N'-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-azaspiro[4.4]nonane-2-carboximidamide
CID 111733903
N-ethyl-N'-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-azaspiro[4.4]nonane-2-carboximidamide;hydroiodide
CID 111733902
N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 60613992
4-amino-N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]pentanamide;dihydrochloride
CID 120565194
cis-(1R,3S)-3-amino-N-[[(3R)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]cyclopentane-1-carboxamide
CID 125135335
1-heptan-2-yl-3-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]urea
CID 60614251
2-amino-N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-(4-methylphenyl)acetamide
CID 120670049
N-[[(3S)-1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 124573955

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-2,8-diazaspiro[4.5]decane-2-carboxamide?
The IUPAC name of N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-2,8-diazaspiro[4.5]decane-2-carboxamide (CID 167788451) is N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-2,8-diazaspiro[4.5]decane-2-carboxamide.
What is the SMILES notation for N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-2,8-diazaspiro[4.5]decane-2-carboxamide?
The canonical SMILES for N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-2,8-diazaspiro[4.5]decane-2-carboxamide is COc1ccccc1N1CCC(CNC(=O)N2CCC3(CCNCC3)C2)C1.
What is the InChIKey of N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-2,8-diazaspiro[4.5]decane-2-carboxamide?
The InChIKey is DLPKBZUTSJNELV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O2/c1-27-19-5-3-2-4-18(19)24-12-6-17(15-24)14-23-20(26)25-13-9-21(16-25)7-10-22-11-8-21/h2-5,17,22H,6-16H2,1H3,(H,23,26).
What are the key properties of N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-2,8-diazaspiro[4.5]decane-2-carboxamide?
N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-2,8-diazaspiro[4.5]decane-2-carboxamide has a molecular weight of 372.51 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methoxyphenyl)pyrrolidin-3-yl]methyl]-2,8-diazaspiro[4.5]decane-2-carboxamide is sourced from PubChem (CID 167788451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).