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

C15H18ClN3O3 — CID 91242068

IUPAC1-oxa-2,8-diazaspiro[4.5]dec-3-en-3-yl N-[(4-chlorophenyl)methyl]carbamate
SMILESO=C(NCc1ccc(Cl)cc1)OC1=CC2(CCNCC2)ON1
InChIInChI=1S/C15H18ClN3O3/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/h1-4,9,17,19H,5-8,10H2,(H,18,20)
InChIKeyHWUCTXSODMNUCE-UHFFFAOYSA-N
MW323.78 g/mol
LogP2.06
Rot. Bonds3

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

1-oxa-2,8-diazaspiro[4.5]dec-3-en-3-yl N-[(4-chlorophenyl)methyl]carbamate (PubChem CID 91242068) has the molecular formula C15H18ClN3O3 and a molecular weight of 323.78 g/mol. Its IUPAC name is 1-oxa-2,8-diazaspiro[4.5]dec-3-en-3-yl N-[(4-chlorophenyl)methyl]carbamate.

Molecular Properties

Compound Name1-oxa-2,8-diazaspiro[4.5]dec-3-en-3-yl N-[(4-chlorophenyl)methyl]carbamate
PubChem CID91242068
Molecular FormulaC15H18ClN3O3
Molecular Weight323.78 g/mol
Exact Mass323.10
IUPAC Name1-oxa-2,8-diazaspiro[4.5]dec-3-en-3-yl N-[(4-chlorophenyl)methyl]carbamate
SMILESO=C(NCc1ccc(Cl)cc1)OC1=CC2(CCNCC2)ON1
InChIInChI=1S/C15H18ClN3O3/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/h1-4,9,17,19H,5-8,10H2,(H,18,20)
InChIKeyHWUCTXSODMNUCE-UHFFFAOYSA-N
XLogP2.06
TPSA71.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.78
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-Butyl 4-(((4-chloro-2-fluorobenzyl)amino)methyl)piperidine-1-carboxylate
CID 113935107
Tert-butyl 3-(4-chlorophenyl)piperazine-1-carboxylate
CID 3719979
Tert-butyl 4-chlorobenzylcarbamate
CID 14221816
4-Chlorobenzyl-3-[(tert-butoxycarbonyl)amino]piperidine
CID 18426153
tert-Butyl 4-(4-chlorobenzylamino)piperidine-1-carboxylate
CID 42880079
Tert-butyl 2-(4-chlorophenyl)piperazine-1-carboxylate
CID 44558599
tert-Butyl [1-(4-chlorobenzyl)piperidin-4-yl]methylcarbamate
CID 52820695
tert-butyl (3R)-3-[(4-chlorophenyl)methylamino]piperidine-1-carboxylate
CID 59223801
1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl N-[(4-chlorophenyl)methyl]carbamate
CID 67041483
1-oxa-2,8-diazaspiro[4.5]dec-2-en-3-yl N-[(4-chlorophenyl)methyl]carbamate;hydrochloride
CID 67041485
tert-Butyl (2-((4-chlorobenzyl)amino)ethyl)carbamate
CID 67134877
[1-[(4-Chlorophenyl)methyl]piperidin-4-yl]methylcarbamic acid
CID 68705528

Frequently Asked Questions

What is the IUPAC name of 1-oxa-2,8-diazaspiro[4.5]dec-3-en-3-yl N-[(4-chlorophenyl)methyl]carbamate?
The IUPAC name of 1-oxa-2,8-diazaspiro[4.5]dec-3-en-3-yl N-[(4-chlorophenyl)methyl]carbamate (CID 91242068) is 1-oxa-2,8-diazaspiro[4.5]dec-3-en-3-yl N-[(4-chlorophenyl)methyl]carbamate.
What is the SMILES notation for 1-oxa-2,8-diazaspiro[4.5]dec-3-en-3-yl N-[(4-chlorophenyl)methyl]carbamate?
The canonical SMILES for 1-oxa-2,8-diazaspiro[4.5]dec-3-en-3-yl N-[(4-chlorophenyl)methyl]carbamate is O=C(NCc1ccc(Cl)cc1)OC1=CC2(CCNCC2)ON1.
What is the InChIKey of 1-oxa-2,8-diazaspiro[4.5]dec-3-en-3-yl N-[(4-chlorophenyl)methyl]carbamate?
The InChIKey is HWUCTXSODMNUCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O3/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/h1-4,9,17,19H,5-8,10H2,(H,18,20).
What are the key properties of 1-oxa-2,8-diazaspiro[4.5]dec-3-en-3-yl N-[(4-chlorophenyl)methyl]carbamate?
1-oxa-2,8-diazaspiro[4.5]dec-3-en-3-yl N-[(4-chlorophenyl)methyl]carbamate has a molecular weight of 323.78 g/mol, XLogP of 2.06, 3 rotatable bonds, 3 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-3-en-3-yl N-[(4-chlorophenyl)methyl]carbamate is sourced from PubChem (CID 91242068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).