benzyl 2-[(1R)-2-methyl-1-piperidin-4-ylpropyl]-2,7-diazaspiro[3.4]octane-7-carboxylate

C23H35N3O2 — CID 176719975

IUPACbenzyl 2-[(1R)-2-methyl-1-piperidin-4-ylpropyl]-2,7-diazaspiro[3.4]octane-7-carboxylate
SMILESCC(C)[C@H](C1CCNCC1)N1CC2(CCN(C(=O)OCc3ccccc3)C2)C1
InChIInChI=1S/C23H35N3O2/c1-18(2)21(20-8-11-24-12-9-20)26-16-23(17-26)10-13-25(15-23)22(27)28-14-19-6-4-3-5-7-19/h3-7,18,20-21,24H,8-17H2,1-2H3/t21-/m1/s1
InChIKeyHMPAOGVBKHEOBI-OAQYLSRUSA-N
MW385.55 g/mol
LogP3.36
Rot. Bonds5

About benzyl 2-[(1R)-2-methyl-1-piperidin-4-ylpropyl]-2,7-diazaspiro[3.4]octane-7-carboxylate

benzyl 2-[(1R)-2-methyl-1-piperidin-4-ylpropyl]-2,7-diazaspiro[3.4]octane-7-carboxylate (PubChem CID 176719975) has the molecular formula C23H35N3O2 and a molecular weight of 385.55 g/mol. Its IUPAC name is benzyl 2-[(1R)-2-methyl-1-piperidin-4-ylpropyl]-2,7-diazaspiro[3.4]octane-7-carboxylate.

Molecular Properties

Compound Namebenzyl 2-[(1R)-2-methyl-1-piperidin-4-ylpropyl]-2,7-diazaspiro[3.4]octane-7-carboxylate
PubChem CID176719975
Molecular FormulaC23H35N3O2
Molecular Weight385.55 g/mol
Exact Mass385.27
IUPAC Namebenzyl 2-[(1R)-2-methyl-1-piperidin-4-ylpropyl]-2,7-diazaspiro[3.4]octane-7-carboxylate
SMILESCC(C)[C@H](C1CCNCC1)N1CC2(CCN(C(=O)OCc3ccccc3)C2)C1
InChIInChI=1S/C23H35N3O2/c1-18(2)21(20-8-11-24-12-9-20)26-16-23(17-26)10-13-25(15-23)22(27)28-14-19-6-4-3-5-7-19/h3-7,18,20-21,24H,8-17H2,1-2H3/t21-/m1/s1
InChIKeyHMPAOGVBKHEOBI-OAQYLSRUSA-N
XLogP3.36
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.55
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze benzyl 2-[(1R)-2-methyl-1-piperidin-4-ylpropyl]-2,7-diazaspiro[3.4]octane-7-carboxylate with MolForge

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Related Compounds

benzyl 2,8-diazaspiro[4.5]decane-2-carboxylate
CID 66570416
benzyl 8-[(2S)-2-aminopropanoyl]-2,8-diazaspiro[4.5]decane-2-carboxylate
CID 97175447
7-[(2S)-3-methyl-1-oxo-1-phenylmethoxybutan-2-yl]-2,7-diazaspiro[4.4]nonane-2-carboxylic acid
CID 174216671
tert-butyl (5R)-7-[(2S)-3-methyl-1-oxo-1-phenylmethoxybutan-2-yl]-2,7-diazaspiro[4.4]nonane-2-carboxylate
CID 166116219
benzyl 2-(pyrrolidin-3-ylmethyl)-2,7-diazaspiro[3.5]nonane-7-carboxylate;hydrochloride
CID 166150825
benzyl 8-(bromomethyl)-2-azaspiro[4.4]nonane-2-carboxylate
CID 71650616
2-(2-phenylmethoxycarbonyl-2,8-diazaspiro[4.5]decan-8-yl)acetic acid
CID 71649736
benzyl (2S,3R)-2-amino-5-azaspiro[2.4]heptane-5-carboxylate
CID 97294914
benzyl (8S)-8-amino-5-azaspiro[2.5]octane-5-carboxylate
CID 97297451
benzyl (2R,3S)-2-(hydroxymethyl)-5-azaspiro[2.4]heptane-5-carboxylate
CID 97294909
benzyl 2-(hydroxymethyl)-7-azaspiro[3.5]nonane-7-carboxylate
CID 135393412
benzyl 4-piperidin-4-ylpiperazine-1-carboxylate
CID 57470863

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[(1R)-2-methyl-1-piperidin-4-ylpropyl]-2,7-diazaspiro[3.4]octane-7-carboxylate?
The IUPAC name of benzyl 2-[(1R)-2-methyl-1-piperidin-4-ylpropyl]-2,7-diazaspiro[3.4]octane-7-carboxylate (CID 176719975) is benzyl 2-[(1R)-2-methyl-1-piperidin-4-ylpropyl]-2,7-diazaspiro[3.4]octane-7-carboxylate.
What is the SMILES notation for benzyl 2-[(1R)-2-methyl-1-piperidin-4-ylpropyl]-2,7-diazaspiro[3.4]octane-7-carboxylate?
The canonical SMILES for benzyl 2-[(1R)-2-methyl-1-piperidin-4-ylpropyl]-2,7-diazaspiro[3.4]octane-7-carboxylate is CC(C)[C@H](C1CCNCC1)N1CC2(CCN(C(=O)OCc3ccccc3)C2)C1.
What is the InChIKey of benzyl 2-[(1R)-2-methyl-1-piperidin-4-ylpropyl]-2,7-diazaspiro[3.4]octane-7-carboxylate?
The InChIKey is HMPAOGVBKHEOBI-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H35N3O2/c1-18(2)21(20-8-11-24-12-9-20)26-16-23(17-26)10-13-25(15-23)22(27)28-14-19-6-4-3-5-7-19/h3-7,18,20-21,24H,8-17H2,1-2H3/t21-/m1/s1.
What are the key properties of benzyl 2-[(1R)-2-methyl-1-piperidin-4-ylpropyl]-2,7-diazaspiro[3.4]octane-7-carboxylate?
benzyl 2-[(1R)-2-methyl-1-piperidin-4-ylpropyl]-2,7-diazaspiro[3.4]octane-7-carboxylate has a molecular weight of 385.55 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[(1R)-2-methyl-1-piperidin-4-ylpropyl]-2,7-diazaspiro[3.4]octane-7-carboxylate is sourced from PubChem (CID 176719975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).