methyl 1-[3-(2-methylpropoxy)benzoyl]piperidine-4-carboxylate

C18H25NO4 — CID 108731428

IUPACmethyl 1-[3-(2-methylpropoxy)benzoyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)c2cccc(OCC(C)C)c2)CC1
InChIInChI=1S/C18H25NO4/c1-13(2)12-23-16-6-4-5-15(11-16)17(20)19-9-7-14(8-10-19)18(21)22-3/h4-6,11,13-14H,7-10,12H2,1-3H3
InChIKeyDNQBWFVRMXVUOG-UHFFFAOYSA-N
MW319.40 g/mol
LogP2.75
Rot. Bonds5

About methyl 1-[3-(2-methylpropoxy)benzoyl]piperidine-4-carboxylate

methyl 1-[3-(2-methylpropoxy)benzoyl]piperidine-4-carboxylate (PubChem CID 108731428) has the molecular formula C18H25NO4 and a molecular weight of 319.40 g/mol. Its IUPAC name is methyl 1-[3-(2-methylpropoxy)benzoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[3-(2-methylpropoxy)benzoyl]piperidine-4-carboxylate
PubChem CID108731428
Molecular FormulaC18H25NO4
Molecular Weight319.40 g/mol
Exact Mass319.18
IUPAC Namemethyl 1-[3-(2-methylpropoxy)benzoyl]piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)c2cccc(OCC(C)C)c2)CC1
InChIInChI=1S/C18H25NO4/c1-13(2)12-23-16-6-4-5-15(11-16)17(20)19-9-7-14(8-10-19)18(21)22-3/h4-6,11,13-14H,7-10,12H2,1-3H3
InChIKeyDNQBWFVRMXVUOG-UHFFFAOYSA-N
XLogP2.75
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 1-[3-(2-methylpropoxy)benzoyl]piperidine-4-carboxylate 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

azepan-1-yl-[1-[3-(2-methylpropoxy)benzoyl]piperidin-4-yl]methanone
CID 134029931
[4-(1-aminoethyl)piperidin-1-yl]-[3-(2-methylpropoxy)phenyl]methanone
CID 119518490
[(3S)-3-aminopyrrolidin-1-yl]-[3-(2-methylpropoxy)phenyl]methanone
CID 124682177
[3-(2-methylpropoxy)phenyl]-piperazin-1-ylmethanone;hydrochloride
CID 119401618
[4-(3-methoxyphenyl)piperazin-1-yl]-[3-(2-methylpropoxy)phenyl]methanone
CID 31911957
6-[3-(2-methylpropoxy)benzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119174556
2-[3-(2-methylpropoxy)anilino]-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 54823197
N-[[3-(azepane-1-carbonyl)phenyl]carbamothioyl]-3-(2-methylpropoxy)benzamide
CID 26159993
[3-(2-methylpropoxy)phenyl]-[4-[(2-phenylimidazol-1-yl)methyl]piperidin-1-yl]methanone
CID 90493030
[4-(3-aminopropyl)piperazin-1-yl]-[3-(2-methylpropoxy)phenyl]methanone
CID 54852636
[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-[3-(2-methylpropoxy)phenyl]methanone
CID 21007836
(3S,4S)-4-methyl-1-[3-(2-methylpropoxy)benzoyl]pyrrolidine-3-carboxylic acid
CID 120952417

Frequently Asked Questions

What is the IUPAC name of methyl 1-[3-(2-methylpropoxy)benzoyl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[3-(2-methylpropoxy)benzoyl]piperidine-4-carboxylate (CID 108731428) is methyl 1-[3-(2-methylpropoxy)benzoyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[3-(2-methylpropoxy)benzoyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[3-(2-methylpropoxy)benzoyl]piperidine-4-carboxylate is COC(=O)C1CCN(C(=O)c2cccc(OCC(C)C)c2)CC1.
What is the InChIKey of methyl 1-[3-(2-methylpropoxy)benzoyl]piperidine-4-carboxylate?
The InChIKey is DNQBWFVRMXVUOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO4/c1-13(2)12-23-16-6-4-5-15(11-16)17(20)19-9-7-14(8-10-19)18(21)22-3/h4-6,11,13-14H,7-10,12H2,1-3H3.
What are the key properties of methyl 1-[3-(2-methylpropoxy)benzoyl]piperidine-4-carboxylate?
methyl 1-[3-(2-methylpropoxy)benzoyl]piperidine-4-carboxylate has a molecular weight of 319.40 g/mol, XLogP of 2.75, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[3-(2-methylpropoxy)benzoyl]piperidine-4-carboxylate is sourced from PubChem (CID 108731428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).