N-[(1S,2R)-2-(3-chlorophenyl)cyclopropyl]-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxamide

C16H19ClN2O3 — CID 97011138

IUPACN-[(1S,2R)-2-(3-chlorophenyl)cyclopropyl]-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxamide
SMILESO=C(N[C@H]1C[C@@H]1c1cccc(Cl)c1)N1CCC2(C1)OCCO2
InChIInChI=1S/C16H19ClN2O3/c17-12-3-1-2-11(8-12)13-9-14(13)18-15(20)19-5-4-16(10-19)21-6-7-22-16/h1-3,8,13-14H,4-7,9-10H2,(H,18,20)/t13-,14+/m1/s1
InChIKeyXPCQUOOCOSIOEH-KGLIPLIRSA-N
MW322.79 g/mol
LogP2.35
Rot. Bonds2

About N-[(1S,2R)-2-(3-chlorophenyl)cyclopropyl]-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxamide

N-[(1S,2R)-2-(3-chlorophenyl)cyclopropyl]-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxamide (PubChem CID 97011138) has the molecular formula C16H19ClN2O3 and a molecular weight of 322.79 g/mol. Its IUPAC name is N-[(1S,2R)-2-(3-chlorophenyl)cyclopropyl]-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxamide.

Molecular Properties

Compound NameN-[(1S,2R)-2-(3-chlorophenyl)cyclopropyl]-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxamide
PubChem CID97011138
Molecular FormulaC16H19ClN2O3
Molecular Weight322.79 g/mol
Exact Mass322.11
IUPAC NameN-[(1S,2R)-2-(3-chlorophenyl)cyclopropyl]-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxamide
SMILESO=C(N[C@H]1C[C@@H]1c1cccc(Cl)c1)N1CCC2(C1)OCCO2
InChIInChI=1S/C16H19ClN2O3/c17-12-3-1-2-11(8-12)13-9-14(13)18-15(20)19-5-4-16(10-19)21-6-7-22-16/h1-3,8,13-14H,4-7,9-10H2,(H,18,20)/t13-,14+/m1/s1
InChIKeyXPCQUOOCOSIOEH-KGLIPLIRSA-N
XLogP2.35
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.79
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1S,2R)-2-(3-chlorophenyl)cyclopropyl]-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-2-(3-chlorophenyl)cyclopropyl]-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxamide?
The IUPAC name of N-[(1S,2R)-2-(3-chlorophenyl)cyclopropyl]-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxamide (CID 97011138) is N-[(1S,2R)-2-(3-chlorophenyl)cyclopropyl]-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxamide.
What is the SMILES notation for N-[(1S,2R)-2-(3-chlorophenyl)cyclopropyl]-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxamide?
The canonical SMILES for N-[(1S,2R)-2-(3-chlorophenyl)cyclopropyl]-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxamide is O=C(N[C@H]1C[C@@H]1c1cccc(Cl)c1)N1CCC2(C1)OCCO2.
What is the InChIKey of N-[(1S,2R)-2-(3-chlorophenyl)cyclopropyl]-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxamide?
The InChIKey is XPCQUOOCOSIOEH-KGLIPLIRSA-N. The full InChI is InChI=1S/C16H19ClN2O3/c17-12-3-1-2-11(8-12)13-9-14(13)18-15(20)19-5-4-16(10-19)21-6-7-22-16/h1-3,8,13-14H,4-7,9-10H2,(H,18,20)/t13-,14+/m1/s1.
What are the key properties of N-[(1S,2R)-2-(3-chlorophenyl)cyclopropyl]-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxamide?
N-[(1S,2R)-2-(3-chlorophenyl)cyclopropyl]-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxamide has a molecular weight of 322.79 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-2-(3-chlorophenyl)cyclopropyl]-1,4-dioxa-7-azaspiro[4.4]nonane-7-carboxamide is sourced from PubChem (CID 97011138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).