methyl (3S)-3-cyclopropyl-3-[3-(piperidin-3-ylmethoxy)phenyl]propanoate

C19H27NO3 — CID 118301888

IUPACmethyl (3S)-3-cyclopropyl-3-[3-(piperidin-3-ylmethoxy)phenyl]propanoate
SMILESCOC(=O)C[C@H](c1cccc(OCC2CCCNC2)c1)C1CC1
InChIInChI=1S/C19H27NO3/c1-22-19(21)11-18(15-7-8-15)16-5-2-6-17(10-16)23-13-14-4-3-9-20-12-14/h2,5-6,10,14-15,18,20H,3-4,7-9,11-13H2,1H3/t14?,18-/m0/s1
InChIKeyIELIIANHCJFLCZ-IBYPIGCZSA-N
MW317.43 g/mol
LogP3.12
Rot. Bonds7

About methyl (3S)-3-cyclopropyl-3-[3-(piperidin-3-ylmethoxy)phenyl]propanoate

methyl (3S)-3-cyclopropyl-3-[3-(piperidin-3-ylmethoxy)phenyl]propanoate (PubChem CID 118301888) has the molecular formula C19H27NO3 and a molecular weight of 317.43 g/mol. Its IUPAC name is methyl (3S)-3-cyclopropyl-3-[3-(piperidin-3-ylmethoxy)phenyl]propanoate.

Molecular Properties

Compound Namemethyl (3S)-3-cyclopropyl-3-[3-(piperidin-3-ylmethoxy)phenyl]propanoate
PubChem CID118301888
Molecular FormulaC19H27NO3
Molecular Weight317.43 g/mol
Exact Mass317.20
IUPAC Namemethyl (3S)-3-cyclopropyl-3-[3-(piperidin-3-ylmethoxy)phenyl]propanoate
SMILESCOC(=O)C[C@H](c1cccc(OCC2CCCNC2)c1)C1CC1
InChIInChI=1S/C19H27NO3/c1-22-19(21)11-18(15-7-8-15)16-5-2-6-17(10-16)23-13-14-4-3-9-20-12-14/h2,5-6,10,14-15,18,20H,3-4,7-9,11-13H2,1H3/t14?,18-/m0/s1
InChIKeyIELIIANHCJFLCZ-IBYPIGCZSA-N
XLogP3.12
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (3S)-3-[3-[2-(azetidin-3-yl)ethoxy]phenyl]-3-cyclopropylpropanoate
CID 118301957
methyl 3-[3-[2-(azetidin-3-yl)ethoxy]phenyl]-3-cyclopropylpropanoate
CID 123379917
2-[3-(piperidin-3-ylmethoxy)phenyl]acetic acid
CID 170886815
3-[3-[2-(azetidin-3-yl)ethoxy]phenyl]-3-cyclopropylpropanoic acid
CID 118296113
methyl 3-[3-(pyrrolidin-3-ylmethoxy)phenyl]propanoate
CID 144899288
(3S)-3-[(3-fluorophenoxy)methyl]piperidine
CID 26188575
(3R)-3-[(3-fluorophenoxy)methyl]piperidine
CID 26188571
methyl 3-(pyrrolidin-3-ylmethoxy)benzoate;hydrochloride
CID 56830232
3-cyclopropyl-3-[3-[(4,4-dimethylpyrrolidin-3-yl)methoxy]phenyl]propanoic acid
CID 122684904
3-[[(3S)-piperidin-3-yl]methoxy]benzonitrile
CID 93481139
(3S)-3-(phenoxymethyl)piperidine
CID 26190643
(3R)-3-[2-(3-propan-2-ylphenoxy)ethyl]piperidine
CID 86321208

Frequently Asked Questions

What is the IUPAC name of methyl (3S)-3-cyclopropyl-3-[3-(piperidin-3-ylmethoxy)phenyl]propanoate?
The IUPAC name of methyl (3S)-3-cyclopropyl-3-[3-(piperidin-3-ylmethoxy)phenyl]propanoate (CID 118301888) is methyl (3S)-3-cyclopropyl-3-[3-(piperidin-3-ylmethoxy)phenyl]propanoate.
What is the SMILES notation for methyl (3S)-3-cyclopropyl-3-[3-(piperidin-3-ylmethoxy)phenyl]propanoate?
The canonical SMILES for methyl (3S)-3-cyclopropyl-3-[3-(piperidin-3-ylmethoxy)phenyl]propanoate is COC(=O)C[C@H](c1cccc(OCC2CCCNC2)c1)C1CC1.
What is the InChIKey of methyl (3S)-3-cyclopropyl-3-[3-(piperidin-3-ylmethoxy)phenyl]propanoate?
The InChIKey is IELIIANHCJFLCZ-IBYPIGCZSA-N. The full InChI is InChI=1S/C19H27NO3/c1-22-19(21)11-18(15-7-8-15)16-5-2-6-17(10-16)23-13-14-4-3-9-20-12-14/h2,5-6,10,14-15,18,20H,3-4,7-9,11-13H2,1H3/t14?,18-/m0/s1.
What are the key properties of methyl (3S)-3-cyclopropyl-3-[3-(piperidin-3-ylmethoxy)phenyl]propanoate?
methyl (3S)-3-cyclopropyl-3-[3-(piperidin-3-ylmethoxy)phenyl]propanoate has a molecular weight of 317.43 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S)-3-cyclopropyl-3-[3-(piperidin-3-ylmethoxy)phenyl]propanoate is sourced from PubChem (CID 118301888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).