benzyl 4-(3-formylcyclobutyl)piperidine-1-carboxylate

C18H23NO3 — CID 146316204

IUPACbenzyl 4-(3-formylcyclobutyl)piperidine-1-carboxylate
SMILESO=CC1CC(C2CCN(C(=O)OCc3ccccc3)CC2)C1
InChIInChI=1S/C18H23NO3/c20-12-15-10-17(11-15)16-6-8-19(9-7-16)18(21)22-13-14-4-2-1-3-5-14/h1-5,12,15-17H,6-11,13H2
InChIKeyUWUKFTWADMKFJN-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.26
Rot. Bonds4

About benzyl 4-(3-formylcyclobutyl)piperidine-1-carboxylate

benzyl 4-(3-formylcyclobutyl)piperidine-1-carboxylate (PubChem CID 146316204) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is benzyl 4-(3-formylcyclobutyl)piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-(3-formylcyclobutyl)piperidine-1-carboxylate
PubChem CID146316204
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC Namebenzyl 4-(3-formylcyclobutyl)piperidine-1-carboxylate
SMILESO=CC1CC(C2CCN(C(=O)OCc3ccccc3)CC2)C1
InChIInChI=1S/C18H23NO3/c20-12-15-10-17(11-15)16-6-8-19(9-7-16)18(21)22-13-14-4-2-1-3-5-14/h1-5,12,15-17H,6-11,13H2
InChIKeyUWUKFTWADMKFJN-UHFFFAOYSA-N
XLogP3.26
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

benzyl 4-(3-aminocyclobutyl)piperidine-1-carboxylate
CID 166595522
benzyl 4,5-dihydroxyazepane-1-carboxylate
CID 77454626
benzyl (4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxylate
CID 54127697
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
benzyl 4-bromopiperidine-1-carboxylate
CID 2776275
amino-(1-phenylmethoxycarbonylpiperidin-4-yl)carbamic acid
CID 57102196
benzyl aziridine-1-carboxylate;silane
CID 158496499
benzyl 4-(oxiran-2-yl)piperidine-1-carboxylate;ethane
CID 145307834
benzyl 4-(formamidocarbamoyl)piperidine-1-carboxylate
CID 171405341
1-phenylmethoxycarbonylpiperidine-4-sulfinate
CID 68893501
benzyl 3-methylpyrrolidine-1-carboxylate;ethane
CID 164877739
benzyl (4aR,8aR)-3,4,4a,5,8,8a-hexahydro-1H-isoquinoline-2-carboxylate
CID 23255909

Frequently Asked Questions

What is the IUPAC name of benzyl 4-(3-formylcyclobutyl)piperidine-1-carboxylate?
The IUPAC name of benzyl 4-(3-formylcyclobutyl)piperidine-1-carboxylate (CID 146316204) is benzyl 4-(3-formylcyclobutyl)piperidine-1-carboxylate.
What is the SMILES notation for benzyl 4-(3-formylcyclobutyl)piperidine-1-carboxylate?
The canonical SMILES for benzyl 4-(3-formylcyclobutyl)piperidine-1-carboxylate is O=CC1CC(C2CCN(C(=O)OCc3ccccc3)CC2)C1.
What is the InChIKey of benzyl 4-(3-formylcyclobutyl)piperidine-1-carboxylate?
The InChIKey is UWUKFTWADMKFJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3/c20-12-15-10-17(11-15)16-6-8-19(9-7-16)18(21)22-13-14-4-2-1-3-5-14/h1-5,12,15-17H,6-11,13H2.
What are the key properties of benzyl 4-(3-formylcyclobutyl)piperidine-1-carboxylate?
benzyl 4-(3-formylcyclobutyl)piperidine-1-carboxylate has a molecular weight of 301.39 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-(3-formylcyclobutyl)piperidine-1-carboxylate is sourced from PubChem (CID 146316204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).