[(1R,6R)-7-bicyclo[4.1.0]heptanyl]-[4-[(4-methoxyphenoxy)methyl]piperidin-1-yl]methanone

C21H29NO3 — CID 98132744

IUPAC[(1R,6R)-7-bicyclo[4.1.0]heptanyl]-[4-[(4-methoxyphenoxy)methyl]piperidin-1-yl]methanone
SMILESCOc1ccc(OCC2CCN(C(=O)C3[C@@H]4CCCC[C@@H]34)CC2)cc1
InChIInChI=1S/C21H29NO3/c1-24-16-6-8-17(9-7-16)25-14-15-10-12-22(13-11-15)21(23)20-18-4-2-3-5-19(18)20/h6-9,15,18-20H,2-5,10-14H2,1H3/t18-,19-/m1/s1
InChIKeyGOGVZBFQSVDUEZ-RTBURBONSA-N
MW343.47 g/mol
LogP3.75
Rot. Bonds5

About [(1R,6R)-7-bicyclo[4.1.0]heptanyl]-[4-[(4-methoxyphenoxy)methyl]piperidin-1-yl]methanone

[(1R,6R)-7-bicyclo[4.1.0]heptanyl]-[4-[(4-methoxyphenoxy)methyl]piperidin-1-yl]methanone (PubChem CID 98132744) has the molecular formula C21H29NO3 and a molecular weight of 343.47 g/mol. Its IUPAC name is [(1R,6R)-7-bicyclo[4.1.0]heptanyl]-[4-[(4-methoxyphenoxy)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[(1R,6R)-7-bicyclo[4.1.0]heptanyl]-[4-[(4-methoxyphenoxy)methyl]piperidin-1-yl]methanone
PubChem CID98132744
Molecular FormulaC21H29NO3
Molecular Weight343.47 g/mol
Exact Mass343.21
IUPAC Name[(1R,6R)-7-bicyclo[4.1.0]heptanyl]-[4-[(4-methoxyphenoxy)methyl]piperidin-1-yl]methanone
SMILESCOc1ccc(OCC2CCN(C(=O)C3[C@@H]4CCCC[C@@H]34)CC2)cc1
InChIInChI=1S/C21H29NO3/c1-24-16-6-8-17(9-7-16)25-14-15-10-12-22(13-11-15)21(23)20-18-4-2-3-5-19(18)20/h6-9,15,18-20H,2-5,10-14H2,1H3/t18-,19-/m1/s1
InChIKeyGOGVZBFQSVDUEZ-RTBURBONSA-N
XLogP3.75
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(1R,6R)-7-bicyclo[4.1.0]heptanyl]-[4-[(4-methoxyphenoxy)methyl]piperidin-1-yl]methanone with MolForge

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Related Compounds

[(1S,6R)-7-bicyclo[4.1.0]heptanyl]-[4-[(4-methoxyphenoxy)methyl]piperidin-1-yl]methanone
CID 92596332
(5S)-1-[2-[4-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-2-oxoethyl]-5-methylpyrrolidin-2-one
CID 97269883
(5R)-1-[2-[4-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-2-oxoethyl]-5-methylpyrrolidin-2-one
CID 97269882
cyclohexyl-[4-[[4-(pyrrolidine-1-carbonyl)phenoxy]methyl]piperidin-1-yl]methanone
CID 53150344
4-[(4-methoxyphenoxy)methyl]-N-(2-oxopiperidin-3-yl)piperidine-1-carboxamide
CID 122556803
4-[1-[(1S,6R)-bicyclo[4.1.0]heptane-7-carbonyl]piperidin-4-yl]oxybenzonitrile
CID 95907426
(3,5-dimethoxyphenyl)-[4-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone
CID 110411665
methyl 4-[[1-(5-methoxy-2-pyridinyl)piperidin-4-yl]methoxy]benzoate
CID 90086503
[(1R,6R)-7-bicyclo[4.1.0]heptanyl]-[(3R)-3-[(2-methylphenoxy)methyl]piperidin-1-yl]methanone
CID 124809448
3-methoxy-1-[3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]propan-1-one
CID 70716586
[4-[(4-fluorophenoxy)methyl]piperidin-1-yl]-(oxolan-2-yl)methanone
CID 110639052
[4-[(2,4-diaminoquinazolin-5-yl)oxymethyl]piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 67302160

Frequently Asked Questions

What is the IUPAC name of [(1R,6R)-7-bicyclo[4.1.0]heptanyl]-[4-[(4-methoxyphenoxy)methyl]piperidin-1-yl]methanone?
The IUPAC name of [(1R,6R)-7-bicyclo[4.1.0]heptanyl]-[4-[(4-methoxyphenoxy)methyl]piperidin-1-yl]methanone (CID 98132744) is [(1R,6R)-7-bicyclo[4.1.0]heptanyl]-[4-[(4-methoxyphenoxy)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for [(1R,6R)-7-bicyclo[4.1.0]heptanyl]-[4-[(4-methoxyphenoxy)methyl]piperidin-1-yl]methanone?
The canonical SMILES for [(1R,6R)-7-bicyclo[4.1.0]heptanyl]-[4-[(4-methoxyphenoxy)methyl]piperidin-1-yl]methanone is COc1ccc(OCC2CCN(C(=O)C3[C@@H]4CCCC[C@@H]34)CC2)cc1.
What is the InChIKey of [(1R,6R)-7-bicyclo[4.1.0]heptanyl]-[4-[(4-methoxyphenoxy)methyl]piperidin-1-yl]methanone?
The InChIKey is GOGVZBFQSVDUEZ-RTBURBONSA-N. The full InChI is InChI=1S/C21H29NO3/c1-24-16-6-8-17(9-7-16)25-14-15-10-12-22(13-11-15)21(23)20-18-4-2-3-5-19(18)20/h6-9,15,18-20H,2-5,10-14H2,1H3/t18-,19-/m1/s1.
What are the key properties of [(1R,6R)-7-bicyclo[4.1.0]heptanyl]-[4-[(4-methoxyphenoxy)methyl]piperidin-1-yl]methanone?
[(1R,6R)-7-bicyclo[4.1.0]heptanyl]-[4-[(4-methoxyphenoxy)methyl]piperidin-1-yl]methanone has a molecular weight of 343.47 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,6R)-7-bicyclo[4.1.0]heptanyl]-[4-[(4-methoxyphenoxy)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 98132744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).