methyl 5-(benzylamino)-1-cyclobutylpiperidine-3-carboxylate

C18H26N2O2 — CID 83993878

IUPACmethyl 5-(benzylamino)-1-cyclobutylpiperidine-3-carboxylate
SMILESCOC(=O)C1CC(NCc2ccccc2)CN(C2CCC2)C1
InChIInChI=1S/C18H26N2O2/c1-22-18(21)15-10-16(13-20(12-15)17-8-5-9-17)19-11-14-6-3-2-4-7-14/h2-4,6-7,15-17,19H,5,8-13H2,1H3
InChIKeyHHTZKDYVUMLQLP-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.19
Rot. Bonds5

About methyl 5-(benzylamino)-1-cyclobutylpiperidine-3-carboxylate

methyl 5-(benzylamino)-1-cyclobutylpiperidine-3-carboxylate (PubChem CID 83993878) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is methyl 5-(benzylamino)-1-cyclobutylpiperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-(benzylamino)-1-cyclobutylpiperidine-3-carboxylate
PubChem CID83993878
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC Namemethyl 5-(benzylamino)-1-cyclobutylpiperidine-3-carboxylate
SMILESCOC(=O)C1CC(NCc2ccccc2)CN(C2CCC2)C1
InChIInChI=1S/C18H26N2O2/c1-22-18(21)15-10-16(13-20(12-15)17-8-5-9-17)19-11-14-6-3-2-4-7-14/h2-4,6-7,15-17,19H,5,8-13H2,1H3
InChIKeyHHTZKDYVUMLQLP-UHFFFAOYSA-N
XLogP2.19
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-cyclobutyl-5-(ethylamino)piperidine-3-carboxylate
CID 83990533
methyl (1S)-3-(benzylamino)cyclopentane-1-carboxylate
CID 54515313
methyl 3-(benzylamino)cyclopentane-1-carboxylate
CID 67382791
2-[5-(benzylamino)-1-cyclopentylpiperidin-3-yl]ethanol
CID 83993832
3-[5-(benzylamino)-1-cyclobutylpiperidin-3-yl]propan-1-ol
CID 83993883
methyl 1-cyclopentyl-5-(2,2-difluoroethylamino)piperidine-3-carboxylate
CID 83993140
N-benzyl-1-cyclopentylpiperidin-3-amine
CID 83993823
1-cyclobutyl-5-(phenylmethoxycarbonylamino)piperidine-3-carboxylic acid
CID 112545077
(3S)-N-benzyl-1-cyclopropylpiperidin-3-amine
CID 95912398
methyl 1-cyclobutyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-3-carboxylate
CID 112544651
methyl 2-[3-(benzylamino)-5-(2-hydroxyethyl)piperidin-1-yl]acetate
CID 83994019
methyl 4-(benzylamino)oxolane-2-carboxylate
CID 170166126

Frequently Asked Questions

What is the IUPAC name of methyl 5-(benzylamino)-1-cyclobutylpiperidine-3-carboxylate?
The IUPAC name of methyl 5-(benzylamino)-1-cyclobutylpiperidine-3-carboxylate (CID 83993878) is methyl 5-(benzylamino)-1-cyclobutylpiperidine-3-carboxylate.
What is the SMILES notation for methyl 5-(benzylamino)-1-cyclobutylpiperidine-3-carboxylate?
The canonical SMILES for methyl 5-(benzylamino)-1-cyclobutylpiperidine-3-carboxylate is COC(=O)C1CC(NCc2ccccc2)CN(C2CCC2)C1.
What is the InChIKey of methyl 5-(benzylamino)-1-cyclobutylpiperidine-3-carboxylate?
The InChIKey is HHTZKDYVUMLQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-22-18(21)15-10-16(13-20(12-15)17-8-5-9-17)19-11-14-6-3-2-4-7-14/h2-4,6-7,15-17,19H,5,8-13H2,1H3.
What are the key properties of methyl 5-(benzylamino)-1-cyclobutylpiperidine-3-carboxylate?
methyl 5-(benzylamino)-1-cyclobutylpiperidine-3-carboxylate has a molecular weight of 302.42 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(benzylamino)-1-cyclobutylpiperidine-3-carboxylate is sourced from PubChem (CID 83993878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).