N-(cyclopropylmethyl)-2-[2-(4-fluorophenyl)acetyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

C21H27FN2O3 — CID 134077997

IUPACN-(cyclopropylmethyl)-2-[2-(4-fluorophenyl)acetyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
SMILESO=C(NCC1CC1)C1CN(C(=O)Cc2ccc(F)cc2)CC12CCOCC2
InChIInChI=1S/C21H27FN2O3/c22-17-5-3-15(4-6-17)11-19(25)24-13-18(20(26)23-12-16-1-2-16)21(14-24)7-9-27-10-8-21/h3-6,16,18H,1-2,7-14H2,(H,23,26)
InChIKeyXRGHXZYPXHYAGO-UHFFFAOYSA-N
MW374.46 g/mol
LogP2.15
Rot. Bonds5

About N-(cyclopropylmethyl)-2-[2-(4-fluorophenyl)acetyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide

N-(cyclopropylmethyl)-2-[2-(4-fluorophenyl)acetyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide (PubChem CID 134077997) has the molecular formula C21H27FN2O3 and a molecular weight of 374.46 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-[2-(4-fluorophenyl)acetyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-[2-(4-fluorophenyl)acetyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
PubChem CID134077997
Molecular FormulaC21H27FN2O3
Molecular Weight374.46 g/mol
Exact Mass374.20
IUPAC NameN-(cyclopropylmethyl)-2-[2-(4-fluorophenyl)acetyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
SMILESO=C(NCC1CC1)C1CN(C(=O)Cc2ccc(F)cc2)CC12CCOCC2
InChIInChI=1S/C21H27FN2O3/c22-17-5-3-15(4-6-17)11-19(25)24-13-18(20(26)23-12-16-1-2-16)21(14-24)7-9-27-10-8-21/h3-6,16,18H,1-2,7-14H2,(H,23,26)
InChIKeyXRGHXZYPXHYAGO-UHFFFAOYSA-N
XLogP2.15
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(cyclopropylmethyl)-2-[2-(4-fluorophenyl)acetyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide 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

N-methyl-2-[2-(4-methylphenyl)acetyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 91924734
N-(cyclopropylmethyl)-2-(furan-3-carbonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 131649912
(4S)-4-N-(cyclopropylmethyl)-2-N,2-N-dimethyl-8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxamide
CID 97375336
2-[2-(4-methylphenyl)acetyl]-N-propan-2-yl-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 134077627
N-cyclohexyl-2-[2-(4-fluorophenoxy)acetyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 91912674
N-(cyclopropylmethyl)-6-[2-(2-methylphenyl)acetyl]-6-azaspiro[3.4]octane-8-carboxamide
CID 154579514
N-(cyclopropylmethyl)-2-(pyrazine-2-carbonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 118739595
2-[2-(3,4,5-trifluorophenyl)acetyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid
CID 139598867
N-(cyclopropylmethyl)-2-(1-methyl-2-oxopyridine-3-carbonyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 155876734
N-(cyclopropylmethyl)-6-(2,4-difluorobenzoyl)-6-azaspiro[3.4]octane-8-carboxamide
CID 154579518
2-(4-fluorophenyl)-N-(oxan-4-ylmethyl)acetamide
CID 110736373
(4S)-N-(cyclopropylmethyl)-2-(thiophen-2-ylmethyl)-8-oxa-2-azaspiro[4.5]decane-4-carboxamide
CID 97375290

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-[2-(4-fluorophenyl)acetyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-2-[2-(4-fluorophenyl)acetyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide (CID 134077997) is N-(cyclopropylmethyl)-2-[2-(4-fluorophenyl)acetyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-[2-(4-fluorophenyl)acetyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-[2-(4-fluorophenyl)acetyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide is O=C(NCC1CC1)C1CN(C(=O)Cc2ccc(F)cc2)CC12CCOCC2.
What is the InChIKey of N-(cyclopropylmethyl)-2-[2-(4-fluorophenyl)acetyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
The InChIKey is XRGHXZYPXHYAGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN2O3/c22-17-5-3-15(4-6-17)11-19(25)24-13-18(20(26)23-12-16-1-2-16)21(14-24)7-9-27-10-8-21/h3-6,16,18H,1-2,7-14H2,(H,23,26).
What are the key properties of N-(cyclopropylmethyl)-2-[2-(4-fluorophenyl)acetyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide?
N-(cyclopropylmethyl)-2-[2-(4-fluorophenyl)acetyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide has a molecular weight of 374.46 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-[2-(4-fluorophenyl)acetyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxamide is sourced from PubChem (CID 134077997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).