methyl 3-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]propanoate

C17H25NO3 — CID 83982822

IUPACmethyl 3-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]propanoate
SMILESCOC(=O)CCC1CCCN(Cc2ccc(OC)cc2)C1
InChIInChI=1S/C17H25NO3/c1-20-16-8-5-15(6-9-16)13-18-11-3-4-14(12-18)7-10-17(19)21-2/h5-6,8-9,14H,3-4,7,10-13H2,1-2H3
InChIKeyOSMIDWNUZCGWOG-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.86
Rot. Bonds6

About methyl 3-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]propanoate

methyl 3-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]propanoate (PubChem CID 83982822) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is methyl 3-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]propanoate
PubChem CID83982822
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Namemethyl 3-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]propanoate
SMILESCOC(=O)CCC1CCCN(Cc2ccc(OC)cc2)C1
InChIInChI=1S/C17H25NO3/c1-20-16-8-5-15(6-9-16)13-18-11-3-4-14(12-18)7-10-17(19)21-2/h5-6,8-9,14H,3-4,7,10-13H2,1-2H3
InChIKeyOSMIDWNUZCGWOG-UHFFFAOYSA-N
XLogP2.86
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 3-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]propanoate 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

methyl 3-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]propanoate
CID 83983363
1-(4-benzylpiperazin-1-yl)-3-[(3R)-1-[(4-methoxyphenyl)methyl]piperidin-3-yl]propan-1-one
CID 28767056
[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methanol
CID 54793850
[(3S)-1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methanol
CID 95165485
methyl 2-[1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]acetate
CID 83980671
N-[(2,4-dimethoxyphenyl)methyl]-3-[(3R)-1-[(4-methoxyphenyl)methyl]piperidin-3-yl]propanamide
CID 25302311
(3R)-3-ethyl-1-[(4-methoxyphenyl)methyl]piperidine
CID 129394219
3-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]propan-1-amine
CID 83982840
[(3R)-1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methanamine
CID 42253835
methyl 1-[(4-methoxyphenyl)methyl]piperidine-3-carboxylate;hydrochloride
CID 14181476
N-[[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methyl]cyclopropanamine
CID 62580078
4-[1-[(4-methylphenyl)methyl]piperidin-3-yl]butan-2-one
CID 83982730

Frequently Asked Questions

What is the IUPAC name of methyl 3-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]propanoate?
The IUPAC name of methyl 3-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]propanoate (CID 83982822) is methyl 3-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]propanoate.
What is the SMILES notation for methyl 3-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]propanoate?
The canonical SMILES for methyl 3-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]propanoate is COC(=O)CCC1CCCN(Cc2ccc(OC)cc2)C1.
What is the InChIKey of methyl 3-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]propanoate?
The InChIKey is OSMIDWNUZCGWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-20-16-8-5-15(6-9-16)13-18-11-3-4-14(12-18)7-10-17(19)21-2/h5-6,8-9,14H,3-4,7,10-13H2,1-2H3.
What are the key properties of methyl 3-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]propanoate?
methyl 3-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]propanoate has a molecular weight of 291.39 g/mol, XLogP of 2.86, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]propanoate is sourced from PubChem (CID 83982822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).