furan-3-yl-[(4S)-4-[(4-methylpiperidin-1-yl)methyl]azepan-1-yl]methanone

C18H28N2O2 — CID 164629238

IUPACfuran-3-yl-[(4S)-4-[(4-methylpiperidin-1-yl)methyl]azepan-1-yl]methanone
SMILESCC1CCN(C[C@H]2CCCN(C(=O)c3ccoc3)CC2)CC1
InChIInChI=1S/C18H28N2O2/c1-15-4-9-19(10-5-15)13-16-3-2-8-20(11-6-16)18(21)17-7-12-22-14-17/h7,12,14-16H,2-6,8-11,13H2,1H3/t16-/m0/s1
InChIKeyDAWZHFUZKFRXJZ-INIZCTEOSA-N
MW304.43 g/mol
LogP3.25
Rot. Bonds3

About furan-3-yl-[(4S)-4-[(4-methylpiperidin-1-yl)methyl]azepan-1-yl]methanone

furan-3-yl-[(4S)-4-[(4-methylpiperidin-1-yl)methyl]azepan-1-yl]methanone (PubChem CID 164629238) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is furan-3-yl-[(4S)-4-[(4-methylpiperidin-1-yl)methyl]azepan-1-yl]methanone.

Molecular Properties

Compound Namefuran-3-yl-[(4S)-4-[(4-methylpiperidin-1-yl)methyl]azepan-1-yl]methanone
PubChem CID164629238
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Namefuran-3-yl-[(4S)-4-[(4-methylpiperidin-1-yl)methyl]azepan-1-yl]methanone
SMILESCC1CCN(C[C@H]2CCCN(C(=O)c3ccoc3)CC2)CC1
InChIInChI=1S/C18H28N2O2/c1-15-4-9-19(10-5-15)13-16-3-2-8-20(11-6-16)18(21)17-7-12-22-14-17/h7,12,14-16H,2-6,8-11,13H2,1H3/t16-/m0/s1
InChIKeyDAWZHFUZKFRXJZ-INIZCTEOSA-N
XLogP3.25
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze furan-3-yl-[(4S)-4-[(4-methylpiperidin-1-yl)methyl]azepan-1-yl]methanone 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

1-[4-[4-[(4-methylpiperidin-1-yl)methyl]piperidine-1-carbonyl]phenyl]ethanone
CID 176683805
furan-3-yl-[4-(2-hydroxyethyl)piperidin-1-yl]methanone
CID 121200631
[3-[3-[[4-(furan-3-carbonyl)piperazin-1-yl]methyl]piperidin-1-yl]-3-oxopropyl]urea
CID 166389131
2,3-dihydro-1,4-benzodioxin-6-yl-[(3R)-3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone
CID 52518702
[4-(4-methylpiperidine-1-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 109044208
[3-(bromomethyl)pyrrolidin-1-yl]-(furan-3-yl)methanone
CID 80666702
2H-benzotriazol-5-yl-[(3S)-3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]methanone
CID 94821961
ethyl 3-[[1-(furan-3-carbonyl)piperidin-4-yl]carbamoyl]piperidine-1-carboxylate
CID 43057335
(3S)-N-ethyl-1-(furan-3-carbonyl)piperidine-3-carboxamide
CID 30830527
[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]-[4-(2-methylpiperidin-1-yl)sulfonylphenyl]methanone
CID 47088517
1-[[1-(furan-3-carbonyl)piperidin-4-yl]methyl]-3-propylurea
CID 90522000
N-[1-(furan-3-carbonyl)piperidin-4-yl]-N-methylacetamide
CID 47080410

Frequently Asked Questions

What is the IUPAC name of furan-3-yl-[(4S)-4-[(4-methylpiperidin-1-yl)methyl]azepan-1-yl]methanone?
The IUPAC name of furan-3-yl-[(4S)-4-[(4-methylpiperidin-1-yl)methyl]azepan-1-yl]methanone (CID 164629238) is furan-3-yl-[(4S)-4-[(4-methylpiperidin-1-yl)methyl]azepan-1-yl]methanone.
What is the SMILES notation for furan-3-yl-[(4S)-4-[(4-methylpiperidin-1-yl)methyl]azepan-1-yl]methanone?
The canonical SMILES for furan-3-yl-[(4S)-4-[(4-methylpiperidin-1-yl)methyl]azepan-1-yl]methanone is CC1CCN(C[C@H]2CCCN(C(=O)c3ccoc3)CC2)CC1.
What is the InChIKey of furan-3-yl-[(4S)-4-[(4-methylpiperidin-1-yl)methyl]azepan-1-yl]methanone?
The InChIKey is DAWZHFUZKFRXJZ-INIZCTEOSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-15-4-9-19(10-5-15)13-16-3-2-8-20(11-6-16)18(21)17-7-12-22-14-17/h7,12,14-16H,2-6,8-11,13H2,1H3/t16-/m0/s1.
What are the key properties of furan-3-yl-[(4S)-4-[(4-methylpiperidin-1-yl)methyl]azepan-1-yl]methanone?
furan-3-yl-[(4S)-4-[(4-methylpiperidin-1-yl)methyl]azepan-1-yl]methanone has a molecular weight of 304.43 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for furan-3-yl-[(4S)-4-[(4-methylpiperidin-1-yl)methyl]azepan-1-yl]methanone is sourced from PubChem (CID 164629238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).