methyl 1-(3-benzylazetidine-1-carbonyl)piperidine-4-carboxylate

C18H24N2O3 — CID 154847756

IUPACmethyl 1-(3-benzylazetidine-1-carbonyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)N2CC(Cc3ccccc3)C2)CC1
InChIInChI=1S/C18H24N2O3/c1-23-17(21)16-7-9-19(10-8-16)18(22)20-12-15(13-20)11-14-5-3-2-4-6-14/h2-6,15-16H,7-13H2,1H3
InChIKeyFYYNWAKLIHAHJA-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.17
Rot. Bonds3

About methyl 1-(3-benzylazetidine-1-carbonyl)piperidine-4-carboxylate

methyl 1-(3-benzylazetidine-1-carbonyl)piperidine-4-carboxylate (PubChem CID 154847756) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is methyl 1-(3-benzylazetidine-1-carbonyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(3-benzylazetidine-1-carbonyl)piperidine-4-carboxylate
PubChem CID154847756
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Namemethyl 1-(3-benzylazetidine-1-carbonyl)piperidine-4-carboxylate
SMILESCOC(=O)C1CCN(C(=O)N2CC(Cc3ccccc3)C2)CC1
InChIInChI=1S/C18H24N2O3/c1-23-17(21)16-7-9-19(10-8-16)18(22)20-12-15(13-20)11-14-5-3-2-4-6-14/h2-6,15-16H,7-13H2,1H3
InChIKeyFYYNWAKLIHAHJA-UHFFFAOYSA-N
XLogP2.17
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-(4-benzylpiperidine-1-carbonyl)piperidine-1-carboxylate
CID 110754151
methyl 1-[N'-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N-ethylcarbamimidoyl]piperidine-4-carboxylate
CID 111977381
methyl 1-(4-phenylbutyl)piperidine-4-carboxylate
CID 114334475
methyl 1-[2-[(2-phenylacetyl)amino]acetyl]piperidine-4-carboxylate
CID 51166527
(3-benzylpyrrolidin-1-yl)-cyclobutylmethanone
CID 110874334
1-(4-benzylpiperidin-1-yl)-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108942003
methyl 1-(piperidine-1-carbonyl)pyrrolidine-3-carboxylate
CID 112732527
ethyl 4-benzylpiperidine-1-carboxylate
CID 3561633
(3R)-1-(4-methoxycarbonylpiperidine-1-carbonyl)piperidine-3-carboxylic acid
CID 81127706
1-(3-benzylpyrrolidin-1-yl)-2-chloroethanone
CID 166404042
methyl 1-[(2R)-2-amino-2-phenylacetyl]piperidine-4-carboxylate
CID 61147926
methyl 1-(2-chloro-2-phenylacetyl)piperidine-4-carboxylate
CID 43245512

Frequently Asked Questions

What is the IUPAC name of methyl 1-(3-benzylazetidine-1-carbonyl)piperidine-4-carboxylate?
The IUPAC name of methyl 1-(3-benzylazetidine-1-carbonyl)piperidine-4-carboxylate (CID 154847756) is methyl 1-(3-benzylazetidine-1-carbonyl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(3-benzylazetidine-1-carbonyl)piperidine-4-carboxylate?
The canonical SMILES for methyl 1-(3-benzylazetidine-1-carbonyl)piperidine-4-carboxylate is COC(=O)C1CCN(C(=O)N2CC(Cc3ccccc3)C2)CC1.
What is the InChIKey of methyl 1-(3-benzylazetidine-1-carbonyl)piperidine-4-carboxylate?
The InChIKey is FYYNWAKLIHAHJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-23-17(21)16-7-9-19(10-8-16)18(22)20-12-15(13-20)11-14-5-3-2-4-6-14/h2-6,15-16H,7-13H2,1H3.
What are the key properties of methyl 1-(3-benzylazetidine-1-carbonyl)piperidine-4-carboxylate?
methyl 1-(3-benzylazetidine-1-carbonyl)piperidine-4-carboxylate has a molecular weight of 316.40 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(3-benzylazetidine-1-carbonyl)piperidine-4-carboxylate is sourced from PubChem (CID 154847756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).