ethyl 4-[(3,3-dimethoxycyclobutyl)methylamino]piperidine-1-carboxylate

C15H28N2O4 — CID 138015528

IUPACethyl 4-[(3,3-dimethoxycyclobutyl)methylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NCC2CC(OC)(OC)C2)CC1
InChIInChI=1S/C15H28N2O4/c1-4-21-14(18)17-7-5-13(6-8-17)16-11-12-9-15(10-12,19-2)20-3/h12-13,16H,4-11H2,1-3H3
InChIKeyHWECFXZDBHAQSS-UHFFFAOYSA-N
MW300.40 g/mol
LogP1.60
Rot. Bonds6

About ethyl 4-[(3,3-dimethoxycyclobutyl)methylamino]piperidine-1-carboxylate

ethyl 4-[(3,3-dimethoxycyclobutyl)methylamino]piperidine-1-carboxylate (PubChem CID 138015528) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is ethyl 4-[(3,3-dimethoxycyclobutyl)methylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(3,3-dimethoxycyclobutyl)methylamino]piperidine-1-carboxylate
PubChem CID138015528
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC Nameethyl 4-[(3,3-dimethoxycyclobutyl)methylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NCC2CC(OC)(OC)C2)CC1
InChIInChI=1S/C15H28N2O4/c1-4-21-14(18)17-7-5-13(6-8-17)16-11-12-9-15(10-12,19-2)20-3/h12-13,16H,4-11H2,1-3H3
InChIKeyHWECFXZDBHAQSS-UHFFFAOYSA-N
XLogP1.60
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-[(1-methylpyrrolidin-2-yl)methylamino]piperidine-1-carboxylate
CID 103749538
ethyl 4-(2-hydroxypropylamino)piperidine-1-carboxylate
CID 43776223
ethyl 4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]piperazine-1-carboxylate
CID 108989873
ethyl 4-[(3-ethoxy-3-oxopropyl)amino]piperidine-1-carboxylate
CID 43093103
ethyl 4-(2-acetamidoethylamino)piperidine-1-carboxylate
CID 43226799
ethyl 4-[[2-(dimethylamino)-2-oxoethyl]amino]piperidine-1-carboxylate
CID 28586131
ethyl 4-[[1-(2-methoxyethyl)cyclopropyl]methylamino]piperidine-1-carboxylate
CID 103802384
ethyl 4-[(1-hydroxycycloheptyl)methylamino]piperidine-1-carboxylate
CID 60710956
ethyl 4-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methylamino]piperidine-1-carboxylate
CID 71921314
ethyl 4-(2-cyclopropylpropylamino)piperidine-1-carboxylate
CID 115690872
ethyl 4-(2-propoxyethylamino)piperidine-1-carboxylate
CID 106451480
ethyl 4-[(3-amino-2-methyl-3-oxopropyl)amino]piperidine-1-carboxylate
CID 43312132

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(3,3-dimethoxycyclobutyl)methylamino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(3,3-dimethoxycyclobutyl)methylamino]piperidine-1-carboxylate (CID 138015528) is ethyl 4-[(3,3-dimethoxycyclobutyl)methylamino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(3,3-dimethoxycyclobutyl)methylamino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(3,3-dimethoxycyclobutyl)methylamino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NCC2CC(OC)(OC)C2)CC1.
What is the InChIKey of ethyl 4-[(3,3-dimethoxycyclobutyl)methylamino]piperidine-1-carboxylate?
The InChIKey is HWECFXZDBHAQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O4/c1-4-21-14(18)17-7-5-13(6-8-17)16-11-12-9-15(10-12,19-2)20-3/h12-13,16H,4-11H2,1-3H3.
What are the key properties of ethyl 4-[(3,3-dimethoxycyclobutyl)methylamino]piperidine-1-carboxylate?
ethyl 4-[(3,3-dimethoxycyclobutyl)methylamino]piperidine-1-carboxylate has a molecular weight of 300.40 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(3,3-dimethoxycyclobutyl)methylamino]piperidine-1-carboxylate is sourced from PubChem (CID 138015528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).