1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl N-[(4-chlorophenyl)methyl]carbamate;hydrochloride

C15H19Cl2N3O3 — CID 67041485

IUPAC1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl N-[(4-chlorophenyl)methyl]carbamate;hydrochloride
SMILESCl.O=C(NCc1ccc(Cl)cc1)OC1=NOC2(CCNCC2)C1
InChIInChI=1S/C15H18ClN3O3.ClH/c16-12-3-1-11(2-4-12)10-18-14(20)21-13-9-15(22-19-13)5-7-17-8-6-15;/h1-4,17H,5-10H2,(H,18,20);1H
InChIKeyQANUDPJTYUXWRL-UHFFFAOYSA-N
MW360.24 g/mol
LogP2.84
Rot. Bonds2

About 1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl N-[(4-chlorophenyl)methyl]carbamate;hydrochloride

1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl N-[(4-chlorophenyl)methyl]carbamate;hydrochloride (PubChem CID 67041485) has the molecular formula C15H19Cl2N3O3 and a molecular weight of 360.24 g/mol. Its IUPAC name is 1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl N-[(4-chlorophenyl)methyl]carbamate;hydrochloride.

Molecular Properties

Compound Name1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl N-[(4-chlorophenyl)methyl]carbamate;hydrochloride
PubChem CID67041485
Molecular FormulaC15H19Cl2N3O3
Molecular Weight360.24 g/mol
Exact Mass359.08
IUPAC Name1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl N-[(4-chlorophenyl)methyl]carbamate;hydrochloride
SMILESCl.O=C(NCc1ccc(Cl)cc1)OC1=NOC2(CCNCC2)C1
InChIInChI=1S/C15H18ClN3O3.ClH/c16-12-3-1-11(2-4-12)10-18-14(20)21-13-9-15(22-19-13)5-7-17-8-6-15;/h1-4,17H,5-10H2,(H,18,20);1H
InChIKeyQANUDPJTYUXWRL-UHFFFAOYSA-N
XLogP2.84
TPSA71.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.24
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl N-[(4-chlorophenyl)methyl]carbamate;2,2,2-trifluoroacetic acid
CID 67041571
N-benzyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide;hydrochloride
CID 67393220
N-[(4-chlorophenyl)methyl]-4-methoxypiperidine-4-carboxamide
CID 119669752
azane;N-[[4-(trifluoromethyl)phenyl]methyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 69316462
[8-(2,5-dichlorophenyl)sulfonyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl] N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]carbamate
CID 87987988
N-[(4-chlorophenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 74889868
N-[(4-chlorophenyl)methyl]-8-(3,4-dichlorophenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 69318265
[3-(4-chlorophenyl)-1-oxa-2,4-diazaspiro[4.5]dec-2-en-4-yl] N-[(4-methylphenyl)methyl]carbamate
CID 69278519
methyl 1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxylate;hydrochloride
CID 75412059
N-[(4-chlorophenyl)methyl]-2-methylazetidine-2-carboxamide
CID 70559850
N-[(4-chlorophenyl)methyl]-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide;dihydrochloride
CID 141108971
N-[(4-chlorophenyl)methyl]-8-[(4-fluorophenyl)carbamothioyl]-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-3-carboxamide
CID 87781131

Frequently Asked Questions

What is the IUPAC name of 1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl N-[(4-chlorophenyl)methyl]carbamate;hydrochloride?
The IUPAC name of 1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl N-[(4-chlorophenyl)methyl]carbamate;hydrochloride (CID 67041485) is 1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl N-[(4-chlorophenyl)methyl]carbamate;hydrochloride.
What is the SMILES notation for 1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl N-[(4-chlorophenyl)methyl]carbamate;hydrochloride?
The canonical SMILES for 1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl N-[(4-chlorophenyl)methyl]carbamate;hydrochloride is Cl.O=C(NCc1ccc(Cl)cc1)OC1=NOC2(CCNCC2)C1.
What is the InChIKey of 1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl N-[(4-chlorophenyl)methyl]carbamate;hydrochloride?
The InChIKey is QANUDPJTYUXWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O3.ClH/c16-12-3-1-11(2-4-12)10-18-14(20)21-13-9-15(22-19-13)5-7-17-8-6-15;/h1-4,17H,5-10H2,(H,18,20);1H.
What are the key properties of 1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl N-[(4-chlorophenyl)methyl]carbamate;hydrochloride?
1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl N-[(4-chlorophenyl)methyl]carbamate;hydrochloride has a molecular weight of 360.24 g/mol, XLogP of 2.84, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl N-[(4-chlorophenyl)methyl]carbamate;hydrochloride is sourced from PubChem (CID 67041485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).