benzyl 2-methyl-2,7-diazaspiro[4.5]decane-7-carboxylate

C17H24N2O2 — CID 118883097

IUPACbenzyl 2-methyl-2,7-diazaspiro[4.5]decane-7-carboxylate
SMILESCN1CCC2(CCCN(C(=O)OCc3ccccc3)C2)C1
InChIInChI=1S/C17H24N2O2/c1-18-11-9-17(13-18)8-5-10-19(14-17)16(20)21-12-15-6-3-2-4-7-15/h2-4,6-7H,5,8-14H2,1H3
InChIKeyZNEXRMBVVRNXDU-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.74
Rot. Bonds2

About benzyl 2-methyl-2,7-diazaspiro[4.5]decane-7-carboxylate

benzyl 2-methyl-2,7-diazaspiro[4.5]decane-7-carboxylate (PubChem CID 118883097) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is benzyl 2-methyl-2,7-diazaspiro[4.5]decane-7-carboxylate.

Molecular Properties

Compound Namebenzyl 2-methyl-2,7-diazaspiro[4.5]decane-7-carboxylate
PubChem CID118883097
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Namebenzyl 2-methyl-2,7-diazaspiro[4.5]decane-7-carboxylate
SMILESCN1CCC2(CCCN(C(=O)OCc3ccccc3)C2)C1
InChIInChI=1S/C17H24N2O2/c1-18-11-9-17(13-18)8-5-10-19(14-17)16(20)21-12-15-6-3-2-4-7-15/h2-4,6-7H,5,8-14H2,1H3
InChIKeyZNEXRMBVVRNXDU-UHFFFAOYSA-N
XLogP2.74
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl 3-amino-3-ethylpiperidine-1-carboxylate
CID 165464075
benzyl (3R)-3-amino-3-methylpiperidine-1-carboxylate;hydrochloride
CID 119081423
benzyl 3-methoxy-3-methylpiperidine-1-carboxylate
CID 130477377
3-methyl-1-phenylmethoxycarbonylpiperidine-3-carboxylate
CID 134129406
benzyl 8-[(2S)-2-aminopropanoyl]-2,8-diazaspiro[4.5]decane-2-carboxylate
CID 97175447
benzyl 2,8-diazaspiro[4.5]decane-2-carboxylate
CID 66570416
benzyl 1-oxa-7-azaspiro[2.5]octane-7-carboxylate
CID 71649497
benzyl 3-amino-3-(aminomethyl)piperidine-1-carboxylate
CID 164535142
2-(3-hydroxy-1-phenylmethoxycarbonylpiperidin-3-yl)acetic acid
CID 163342503
2-(2-phenylmethoxycarbonyl-2,8-diazaspiro[4.5]decan-8-yl)acetic acid
CID 71649736
benzyl (3S)-3-methyl-3-(propan-2-ylamino)piperidine-1-carboxylate
CID 97175006
benzyl 2,2-dioxo-2λ6-thia-1,9-diazaspiro[4.5]decane-9-carboxylate
CID 175977278

Frequently Asked Questions

What is the IUPAC name of benzyl 2-methyl-2,7-diazaspiro[4.5]decane-7-carboxylate?
The IUPAC name of benzyl 2-methyl-2,7-diazaspiro[4.5]decane-7-carboxylate (CID 118883097) is benzyl 2-methyl-2,7-diazaspiro[4.5]decane-7-carboxylate.
What is the SMILES notation for benzyl 2-methyl-2,7-diazaspiro[4.5]decane-7-carboxylate?
The canonical SMILES for benzyl 2-methyl-2,7-diazaspiro[4.5]decane-7-carboxylate is CN1CCC2(CCCN(C(=O)OCc3ccccc3)C2)C1.
What is the InChIKey of benzyl 2-methyl-2,7-diazaspiro[4.5]decane-7-carboxylate?
The InChIKey is ZNEXRMBVVRNXDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-18-11-9-17(13-18)8-5-10-19(14-17)16(20)21-12-15-6-3-2-4-7-15/h2-4,6-7H,5,8-14H2,1H3.
What are the key properties of benzyl 2-methyl-2,7-diazaspiro[4.5]decane-7-carboxylate?
benzyl 2-methyl-2,7-diazaspiro[4.5]decane-7-carboxylate has a molecular weight of 288.39 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-methyl-2,7-diazaspiro[4.5]decane-7-carboxylate is sourced from PubChem (CID 118883097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).