N-[[4-(4-fluorophenyl)piperidin-3-yl]methyl]-3,9-diazaspiro[5.5]undecane-3-carboxamide

C22H33FN4O — CID 171359837

IUPACN-[[4-(4-fluorophenyl)piperidin-3-yl]methyl]-3,9-diazaspiro[5.5]undecane-3-carboxamide
SMILESO=C(NCC1CNCCC1c1ccc(F)cc1)N1CCC2(CCNCC2)CC1
InChIInChI=1S/C22H33FN4O/c23-19-3-1-17(2-4-19)20-5-10-25-15-18(20)16-26-21(28)27-13-8-22(9-14-27)6-11-24-12-7-22/h1-4,18,20,24-25H,5-16H2,(H,26,28)
InChIKeyBRVQQDBNLJHVBU-UHFFFAOYSA-N
MW388.53 g/mol
LogP2.69
Rot. Bonds3

About N-[[4-(4-fluorophenyl)piperidin-3-yl]methyl]-3,9-diazaspiro[5.5]undecane-3-carboxamide

N-[[4-(4-fluorophenyl)piperidin-3-yl]methyl]-3,9-diazaspiro[5.5]undecane-3-carboxamide (PubChem CID 171359837) has the molecular formula C22H33FN4O and a molecular weight of 388.53 g/mol. Its IUPAC name is N-[[4-(4-fluorophenyl)piperidin-3-yl]methyl]-3,9-diazaspiro[5.5]undecane-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(4-fluorophenyl)piperidin-3-yl]methyl]-3,9-diazaspiro[5.5]undecane-3-carboxamide
PubChem CID171359837
Molecular FormulaC22H33FN4O
Molecular Weight388.53 g/mol
Exact Mass388.26
IUPAC NameN-[[4-(4-fluorophenyl)piperidin-3-yl]methyl]-3,9-diazaspiro[5.5]undecane-3-carboxamide
SMILESO=C(NCC1CNCCC1c1ccc(F)cc1)N1CCC2(CCNCC2)CC1
InChIInChI=1S/C22H33FN4O/c23-19-3-1-17(2-4-19)20-5-10-25-15-18(20)16-26-21(28)27-13-8-22(9-14-27)6-11-24-12-7-22/h1-4,18,20,24-25H,5-16H2,(H,26,28)
InChIKeyBRVQQDBNLJHVBU-UHFFFAOYSA-N
XLogP2.69
TPSA56.40 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.53
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[[4-(4-fluorophenyl)piperidin-3-yl]methyl]-3,9-diazaspiro[5.5]undecane-3-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

Amperozide
CID 73333
1-{3-[4-(4-Fluoro-benzyl)-piperidin-1-yl]-propyl}-3-phenethyl-urea
CID 22393378
1-Cyclohexyl-3-{3-[4-(4-fluoro-benzyl)-piperidin-1-yl]-propyl}-urea
CID 22393436
1-(1,2-dihydropyridin-2-yl)-3-[(1R,2S)-2-[[(3S)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]cyclohexyl]urea
CID 44400941
N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-(4-fluorophenyl)piperidine-1-carboxamide
CID 129105176
N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-(3-fluorophenyl)piperidine-1-carboxamide
CID 129105239
N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-(2-fluorophenyl)piperidine-1-carboxamide
CID 129105316
N'-Cyclohexyl-N-[1-(3,3-diphenylpropyl)piperidin-4-yl]-N-methylurea
CID 44392211
N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-cyano-4-phenylpiperidine-1-carboxamide
CID 129105213
N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-phenylpiperidine-1-carboxamide
CID 129105414
N-(2,2-diphenylethyl)-4-(1-methylpiperidin-4-yl)piperazine-1-carboxamide
CID 172438176
1-[[(2R,4S,5S)-5-[(4-benzylpiperidin-1-yl)methyl]-1-azabicyclo[2.2.2]octan-2-yl]methyl]-3-propan-2-ylurea
CID 25389399

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-fluorophenyl)piperidin-3-yl]methyl]-3,9-diazaspiro[5.5]undecane-3-carboxamide?
The IUPAC name of N-[[4-(4-fluorophenyl)piperidin-3-yl]methyl]-3,9-diazaspiro[5.5]undecane-3-carboxamide (CID 171359837) is N-[[4-(4-fluorophenyl)piperidin-3-yl]methyl]-3,9-diazaspiro[5.5]undecane-3-carboxamide.
What is the SMILES notation for N-[[4-(4-fluorophenyl)piperidin-3-yl]methyl]-3,9-diazaspiro[5.5]undecane-3-carboxamide?
The canonical SMILES for N-[[4-(4-fluorophenyl)piperidin-3-yl]methyl]-3,9-diazaspiro[5.5]undecane-3-carboxamide is O=C(NCC1CNCCC1c1ccc(F)cc1)N1CCC2(CCNCC2)CC1.
What is the InChIKey of N-[[4-(4-fluorophenyl)piperidin-3-yl]methyl]-3,9-diazaspiro[5.5]undecane-3-carboxamide?
The InChIKey is BRVQQDBNLJHVBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33FN4O/c23-19-3-1-17(2-4-19)20-5-10-25-15-18(20)16-26-21(28)27-13-8-22(9-14-27)6-11-24-12-7-22/h1-4,18,20,24-25H,5-16H2,(H,26,28).
What are the key properties of N-[[4-(4-fluorophenyl)piperidin-3-yl]methyl]-3,9-diazaspiro[5.5]undecane-3-carboxamide?
N-[[4-(4-fluorophenyl)piperidin-3-yl]methyl]-3,9-diazaspiro[5.5]undecane-3-carboxamide has a molecular weight of 388.53 g/mol, XLogP of 2.69, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-fluorophenyl)piperidin-3-yl]methyl]-3,9-diazaspiro[5.5]undecane-3-carboxamide is sourced from PubChem (CID 171359837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).