benzyl 2-(pyrrolidin-3-ylmethyl)-2,7-diazaspiro[3.5]nonane-7-carboxylate;hydrochloride

C20H30ClN3O2 — CID 166150825

IUPACbenzyl 2-(pyrrolidin-3-ylmethyl)-2,7-diazaspiro[3.5]nonane-7-carboxylate;hydrochloride
SMILESCl.O=C(OCc1ccccc1)N1CCC2(CC1)CN(CC1CCNC1)C2
InChIInChI=1S/C20H29N3O2.ClH/c24-19(25-14-17-4-2-1-3-5-17)23-10-7-20(8-11-23)15-22(16-20)13-18-6-9-21-12-18;/h1-5,18,21H,6-16H2;1H
InChIKeyGLJNWQHSEVNYIG-UHFFFAOYSA-N
MW379.93 g/mol
LogP2.75
Rot. Bonds4

About benzyl 2-(pyrrolidin-3-ylmethyl)-2,7-diazaspiro[3.5]nonane-7-carboxylate;hydrochloride

benzyl 2-(pyrrolidin-3-ylmethyl)-2,7-diazaspiro[3.5]nonane-7-carboxylate;hydrochloride (PubChem CID 166150825) has the molecular formula C20H30ClN3O2 and a molecular weight of 379.93 g/mol. Its IUPAC name is benzyl 2-(pyrrolidin-3-ylmethyl)-2,7-diazaspiro[3.5]nonane-7-carboxylate;hydrochloride.

Molecular Properties

Compound Namebenzyl 2-(pyrrolidin-3-ylmethyl)-2,7-diazaspiro[3.5]nonane-7-carboxylate;hydrochloride
PubChem CID166150825
Molecular FormulaC20H30ClN3O2
Molecular Weight379.93 g/mol
Exact Mass379.20
IUPAC Namebenzyl 2-(pyrrolidin-3-ylmethyl)-2,7-diazaspiro[3.5]nonane-7-carboxylate;hydrochloride
SMILESCl.O=C(OCc1ccccc1)N1CCC2(CC1)CN(CC1CCNC1)C2
InChIInChI=1S/C20H29N3O2.ClH/c24-19(25-14-17-4-2-1-3-5-17)23-10-7-20(8-11-23)15-22(16-20)13-18-6-9-21-12-18;/h1-5,18,21H,6-16H2;1H
InChIKeyGLJNWQHSEVNYIG-UHFFFAOYSA-N
XLogP2.75
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.93
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl 4-[(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]piperidine-1-carboxylate
CID 118534996
benzyl 4-[3-(2,6-diazaspiro[3.3]heptan-2-ylmethyl)cyclobutyl]oxypiperidine-1-carboxylate
CID 170936036
benzyl 4-(7-azaspiro[3.5]nonan-2-ylmethyl)piperazine-1-carboxylate
CID 165136917
benzyl (3S)-3-methyl-4-[[(3S)-pyrrolidin-3-yl]methyl]piperazine-1-carboxylate
CID 165136496
benzyl 2,8-diazaspiro[4.5]decane-2-carboxylate
CID 66570416
benzyl 2-(hydroxymethyl)-7-azaspiro[3.5]nonane-7-carboxylate
CID 135393412
benzyl 2-(2-hydroxyethyl)-7-azaspiro[3.5]nonane-7-carboxylate
CID 142324856
benzyl 2-[(1R)-2-methyl-1-piperidin-4-ylpropyl]-2,7-diazaspiro[3.4]octane-7-carboxylate
CID 176719975
benzyl 4-piperidin-4-ylpiperazine-1-carboxylate
CID 57470863
benzyl 1,4,7,10-tetrazacyclododecane-1-carboxylate
CID 11154253
2-(7-azaspiro[3.5]nonan-2-yloxy)ethanol;benzyl 2-(2-hydroxyethoxy)-7-azaspiro[3.5]nonane-7-carboxylate;hydrochloride
CID 160500157
benzyl 8-(bromomethyl)-2-azaspiro[4.4]nonane-2-carboxylate
CID 71650616

Frequently Asked Questions

What is the IUPAC name of benzyl 2-(pyrrolidin-3-ylmethyl)-2,7-diazaspiro[3.5]nonane-7-carboxylate;hydrochloride?
The IUPAC name of benzyl 2-(pyrrolidin-3-ylmethyl)-2,7-diazaspiro[3.5]nonane-7-carboxylate;hydrochloride (CID 166150825) is benzyl 2-(pyrrolidin-3-ylmethyl)-2,7-diazaspiro[3.5]nonane-7-carboxylate;hydrochloride.
What is the SMILES notation for benzyl 2-(pyrrolidin-3-ylmethyl)-2,7-diazaspiro[3.5]nonane-7-carboxylate;hydrochloride?
The canonical SMILES for benzyl 2-(pyrrolidin-3-ylmethyl)-2,7-diazaspiro[3.5]nonane-7-carboxylate;hydrochloride is Cl.O=C(OCc1ccccc1)N1CCC2(CC1)CN(CC1CCNC1)C2.
What is the InChIKey of benzyl 2-(pyrrolidin-3-ylmethyl)-2,7-diazaspiro[3.5]nonane-7-carboxylate;hydrochloride?
The InChIKey is GLJNWQHSEVNYIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2.ClH/c24-19(25-14-17-4-2-1-3-5-17)23-10-7-20(8-11-23)15-22(16-20)13-18-6-9-21-12-18;/h1-5,18,21H,6-16H2;1H.
What are the key properties of benzyl 2-(pyrrolidin-3-ylmethyl)-2,7-diazaspiro[3.5]nonane-7-carboxylate;hydrochloride?
benzyl 2-(pyrrolidin-3-ylmethyl)-2,7-diazaspiro[3.5]nonane-7-carboxylate;hydrochloride has a molecular weight of 379.93 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-(pyrrolidin-3-ylmethyl)-2,7-diazaspiro[3.5]nonane-7-carboxylate;hydrochloride is sourced from PubChem (CID 166150825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).