[4-[[(S)-cyclobutyl(phenyl)methyl]amino]piperidin-1-yl]-(furan-3-yl)methanone

C21H26N2O2 — CID 97081115

IUPAC[4-[[(S)-cyclobutyl(phenyl)methyl]amino]piperidin-1-yl]-(furan-3-yl)methanone
SMILESO=C(c1ccoc1)N1CCC(N[C@H](c2ccccc2)C2CCC2)CC1
InChIInChI=1S/C21H26N2O2/c24-21(18-11-14-25-15-18)23-12-9-19(10-13-23)22-20(17-7-4-8-17)16-5-2-1-3-6-16/h1-3,5-6,11,14-15,17,19-20,22H,4,7-10,12-13H2/t20-/m1/s1
InChIKeyLVQZAIKJMBVWFI-HXUWFJFHSA-N
MW338.45 g/mol
LogP4.02
Rot. Bonds5

About [4-[[(S)-cyclobutyl(phenyl)methyl]amino]piperidin-1-yl]-(furan-3-yl)methanone

[4-[[(S)-cyclobutyl(phenyl)methyl]amino]piperidin-1-yl]-(furan-3-yl)methanone (PubChem CID 97081115) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is [4-[[(S)-cyclobutyl(phenyl)methyl]amino]piperidin-1-yl]-(furan-3-yl)methanone.

Molecular Properties

Compound Name[4-[[(S)-cyclobutyl(phenyl)methyl]amino]piperidin-1-yl]-(furan-3-yl)methanone
PubChem CID97081115
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name[4-[[(S)-cyclobutyl(phenyl)methyl]amino]piperidin-1-yl]-(furan-3-yl)methanone
SMILESO=C(c1ccoc1)N1CCC(N[C@H](c2ccccc2)C2CCC2)CC1
InChIInChI=1S/C21H26N2O2/c24-21(18-11-14-25-15-18)23-12-9-19(10-13-23)22-20(17-7-4-8-17)16-5-2-1-3-6-16/h1-3,5-6,11,14-15,17,19-20,22H,4,7-10,12-13H2/t20-/m1/s1
InChIKeyLVQZAIKJMBVWFI-HXUWFJFHSA-N
XLogP4.02
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-[[(S)-cyclobutyl(phenyl)methyl]amino]piperidin-1-yl]-(furan-3-yl)methanone with MolForge

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Related Compounds

furan-3-yl-[4-[[(R)-phenyl(pyridin-4-yl)methyl]amino]piperidin-1-yl]methanone
CID 97321950
3-amino-N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-methyl-3-phenylpropanamide;hydrochloride
CID 119702922
furan-3-yl-[4-[[(1S)-1-(2-hydroxyphenyl)propyl]amino]piperidin-1-yl]methanone
CID 99700469
furan-3-yl-[4-[[(1R)-2-methyl-1-(2-methylphenyl)propyl]amino]piperidin-1-yl]methanone
CID 97231970
N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-methylpropanamide
CID 38198075
2-[[1-(furan-3-carbonyl)piperidin-4-yl]carbamoyl]cyclopropane-1-carboxylic acid
CID 119180130
(2R)-N-[1-(furan-3-carbonyl)piperidin-4-yl]oxolane-2-carboxamide
CID 38197318
2-(2-chlorophenyl)sulfanyl-N-[1-(furan-3-carbonyl)piperidin-4-yl]acetamide
CID 38210187
N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-methylbenzamide
CID 38207852
1-(furan-3-carbonyl)-N-(2-phenylbutyl)piperidine-4-carboxamide
CID 134048628
(2R)-2-[4-(furan-3-carbonyl)piperazin-1-yl]-2-phenylacetamide
CID 34955258
(1R)-N-[1-(furan-3-carbonyl)piperidin-4-yl]cyclohex-3-ene-1-carboxamide
CID 30746655

Frequently Asked Questions

What is the IUPAC name of [4-[[(S)-cyclobutyl(phenyl)methyl]amino]piperidin-1-yl]-(furan-3-yl)methanone?
The IUPAC name of [4-[[(S)-cyclobutyl(phenyl)methyl]amino]piperidin-1-yl]-(furan-3-yl)methanone (CID 97081115) is [4-[[(S)-cyclobutyl(phenyl)methyl]amino]piperidin-1-yl]-(furan-3-yl)methanone.
What is the SMILES notation for [4-[[(S)-cyclobutyl(phenyl)methyl]amino]piperidin-1-yl]-(furan-3-yl)methanone?
The canonical SMILES for [4-[[(S)-cyclobutyl(phenyl)methyl]amino]piperidin-1-yl]-(furan-3-yl)methanone is O=C(c1ccoc1)N1CCC(N[C@H](c2ccccc2)C2CCC2)CC1.
What is the InChIKey of [4-[[(S)-cyclobutyl(phenyl)methyl]amino]piperidin-1-yl]-(furan-3-yl)methanone?
The InChIKey is LVQZAIKJMBVWFI-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H26N2O2/c24-21(18-11-14-25-15-18)23-12-9-19(10-13-23)22-20(17-7-4-8-17)16-5-2-1-3-6-16/h1-3,5-6,11,14-15,17,19-20,22H,4,7-10,12-13H2/t20-/m1/s1.
What are the key properties of [4-[[(S)-cyclobutyl(phenyl)methyl]amino]piperidin-1-yl]-(furan-3-yl)methanone?
[4-[[(S)-cyclobutyl(phenyl)methyl]amino]piperidin-1-yl]-(furan-3-yl)methanone has a molecular weight of 338.45 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(S)-cyclobutyl(phenyl)methyl]amino]piperidin-1-yl]-(furan-3-yl)methanone is sourced from PubChem (CID 97081115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).