1-(4-fluorobenzoyl)-N-(5-oxaspiro[3.4]octan-6-ylmethyl)piperidine-4-carboxamide

C21H27FN2O3 — CID 167754057

IUPAC1-(4-fluorobenzoyl)-N-(5-oxaspiro[3.4]octan-6-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCC1CCC2(CCC2)O1)C1CCN(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C21H27FN2O3/c22-17-4-2-16(3-5-17)20(26)24-12-7-15(8-13-24)19(25)23-14-18-6-11-21(27-18)9-1-10-21/h2-5,15,18H,1,6-14H2,(H,23,25)
InChIKeyMDMNZTHUTHBTNR-UHFFFAOYSA-N
MW374.46 g/mol
LogP2.90
Rot. Bonds4

About 1-(4-fluorobenzoyl)-N-(5-oxaspiro[3.4]octan-6-ylmethyl)piperidine-4-carboxamide

1-(4-fluorobenzoyl)-N-(5-oxaspiro[3.4]octan-6-ylmethyl)piperidine-4-carboxamide (PubChem CID 167754057) has the molecular formula C21H27FN2O3 and a molecular weight of 374.46 g/mol. Its IUPAC name is 1-(4-fluorobenzoyl)-N-(5-oxaspiro[3.4]octan-6-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorobenzoyl)-N-(5-oxaspiro[3.4]octan-6-ylmethyl)piperidine-4-carboxamide
PubChem CID167754057
Molecular FormulaC21H27FN2O3
Molecular Weight374.46 g/mol
Exact Mass374.20
IUPAC Name1-(4-fluorobenzoyl)-N-(5-oxaspiro[3.4]octan-6-ylmethyl)piperidine-4-carboxamide
SMILESO=C(NCC1CCC2(CCC2)O1)C1CCN(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C21H27FN2O3/c22-17-4-2-16(3-5-17)20(26)24-12-7-15(8-13-24)19(25)23-14-18-6-11-21(27-18)9-1-10-21/h2-5,15,18H,1,6-14H2,(H,23,25)
InChIKeyMDMNZTHUTHBTNR-UHFFFAOYSA-N
XLogP2.90
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-fluorobenzoyl)-N-(5-oxaspiro[3.4]octan-6-ylmethyl)piperidine-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

5-ethyl-N-[[(2R)-8-(4-fluorobenzoyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-1,2-oxazole-3-carboxamide
CID 42211888
N-[[8-(4-fluorobenzoyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]-2,4-dimethoxybenzamide
CID 45173149
N-(1-adamantylmethyl)-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 8923714
1-(4-fluorobenzoyl)-N-(oxolan-2-ylmethyl)piperidine-3-carboxamide
CID 18154535
1-(4-fluorobenzoyl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]piperidine-4-carboxamide
CID 17497247
N-[[(2S)-oxolan-2-yl]methyl]-1-(4-phenylbenzoyl)piperidine-4-carboxamide
CID 1082905
N-(oxolan-2-ylmethyl)-1-(2,3,4-trifluorobenzoyl)piperidine-4-carboxamide
CID 113003389
1-(4-fluorobenzoyl)-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]piperidine-4-carboxamide
CID 39965506
1-(4-fluorobenzoyl)-N-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methyl]piperidine-4-carboxamide
CID 131891851
3-fluoro-4-methoxy-N-[[8-(pyridine-4-carbonyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]benzamide
CID 126467613
1-(4-fluorobenzoyl)-N-[(3R)-oxolan-3-yl]piperidine-4-carboxamide
CID 124614187
1-(2-fluorobenzoyl)-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
CID 17019005

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorobenzoyl)-N-(5-oxaspiro[3.4]octan-6-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-fluorobenzoyl)-N-(5-oxaspiro[3.4]octan-6-ylmethyl)piperidine-4-carboxamide (CID 167754057) is 1-(4-fluorobenzoyl)-N-(5-oxaspiro[3.4]octan-6-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-fluorobenzoyl)-N-(5-oxaspiro[3.4]octan-6-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-fluorobenzoyl)-N-(5-oxaspiro[3.4]octan-6-ylmethyl)piperidine-4-carboxamide is O=C(NCC1CCC2(CCC2)O1)C1CCN(C(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 1-(4-fluorobenzoyl)-N-(5-oxaspiro[3.4]octan-6-ylmethyl)piperidine-4-carboxamide?
The InChIKey is MDMNZTHUTHBTNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27FN2O3/c22-17-4-2-16(3-5-17)20(26)24-12-7-15(8-13-24)19(25)23-14-18-6-11-21(27-18)9-1-10-21/h2-5,15,18H,1,6-14H2,(H,23,25).
What are the key properties of 1-(4-fluorobenzoyl)-N-(5-oxaspiro[3.4]octan-6-ylmethyl)piperidine-4-carboxamide?
1-(4-fluorobenzoyl)-N-(5-oxaspiro[3.4]octan-6-ylmethyl)piperidine-4-carboxamide has a molecular weight of 374.46 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorobenzoyl)-N-(5-oxaspiro[3.4]octan-6-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 167754057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).