benzyl 4-[(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]piperidine-1-carboxylate

C23H35N3O2 — CID 118534996

IUPACbenzyl 4-[(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]piperidine-1-carboxylate
SMILESCN1CCC2(CC1)CCN(CC1CCN(C(=O)OCc3ccccc3)CC1)C2
InChIInChI=1S/C23H35N3O2/c1-24-14-9-23(10-15-24)11-16-25(19-23)17-20-7-12-26(13-8-20)22(27)28-18-21-5-3-2-4-6-21/h2-6,20H,7-19H2,1H3
InChIKeyBSZRGEMHUFFAHE-UHFFFAOYSA-N
MW385.55 g/mol
LogP3.45
Rot. Bonds4

About benzyl 4-[(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]piperidine-1-carboxylate

benzyl 4-[(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]piperidine-1-carboxylate (PubChem CID 118534996) has the molecular formula C23H35N3O2 and a molecular weight of 385.55 g/mol. Its IUPAC name is benzyl 4-[(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-[(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]piperidine-1-carboxylate
PubChem CID118534996
Molecular FormulaC23H35N3O2
Molecular Weight385.55 g/mol
Exact Mass385.27
IUPAC Namebenzyl 4-[(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]piperidine-1-carboxylate
SMILESCN1CCC2(CC1)CCN(CC1CCN(C(=O)OCc3ccccc3)CC1)C2
InChIInChI=1S/C23H35N3O2/c1-24-14-9-23(10-15-24)11-16-25(19-23)17-20-7-12-26(13-8-20)22(27)28-18-21-5-3-2-4-6-21/h2-6,20H,7-19H2,1H3
InChIKeyBSZRGEMHUFFAHE-UHFFFAOYSA-N
XLogP3.45
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.55
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl 3-[(9-methyl-3,9-diazaspiro[5.5]undecan-3-yl)methyl]pyrrolidine-1-carboxylate
CID 176896645
1-[(1-phenylmethoxycarbonylpiperidin-4-yl)methyl]azetidine-3-carboxylic acid
CID 167720546
benzyl 2-(pyrrolidin-3-ylmethyl)-2,7-diazaspiro[3.5]nonane-7-carboxylate;hydrochloride
CID 166150825
benzyl 3-[(4-methylpiperazin-1-yl)methyl]azetidine-1-carboxylate
CID 146640420
benzyl 4-[[2-(3-formyl-4-methoxycarbonylphenyl)-2,7-diazaspiro[3.5]nonan-7-yl]methyl]piperidine-1-carboxylate
CID 166077984
benzyl 4-[[2-(3-cyano-4-methoxycarbonylphenyl)-2,7-diazaspiro[3.5]nonan-7-yl]methyl]piperidine-1-carboxylate
CID 166077297
benzyl 2-methyl-2,7-diazaspiro[4.5]decane-7-carboxylate
CID 118883097
2-(2-phenylmethoxycarbonyl-2,8-diazaspiro[4.5]decan-8-yl)acetic acid
CID 71649736
benzyl 4-[3-(2,6-diazaspiro[3.3]heptan-2-ylmethyl)cyclobutyl]oxypiperidine-1-carboxylate
CID 170936036
benzyl 4,5-dihydroxyazepane-1-carboxylate
CID 77454626
benzyl 4-[[1-(2-ethoxy-2-oxoethyl)piperidin-4-yl]methyl]piperazine-1-carboxylate
CID 176761023
benzyl 4-(2-aminoethyl)piperidine-1-carboxylate
CID 22405759

Frequently Asked Questions

What is the IUPAC name of benzyl 4-[(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]piperidine-1-carboxylate?
The IUPAC name of benzyl 4-[(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]piperidine-1-carboxylate (CID 118534996) is benzyl 4-[(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]piperidine-1-carboxylate.
What is the SMILES notation for benzyl 4-[(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]piperidine-1-carboxylate?
The canonical SMILES for benzyl 4-[(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]piperidine-1-carboxylate is CN1CCC2(CC1)CCN(CC1CCN(C(=O)OCc3ccccc3)CC1)C2.
What is the InChIKey of benzyl 4-[(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]piperidine-1-carboxylate?
The InChIKey is BSZRGEMHUFFAHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N3O2/c1-24-14-9-23(10-15-24)11-16-25(19-23)17-20-7-12-26(13-8-20)22(27)28-18-21-5-3-2-4-6-21/h2-6,20H,7-19H2,1H3.
What are the key properties of benzyl 4-[(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]piperidine-1-carboxylate?
benzyl 4-[(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]piperidine-1-carboxylate has a molecular weight of 385.55 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-[(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]piperidine-1-carboxylate is sourced from PubChem (CID 118534996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).