methyl 3-[3-(benzylamino)-5-methylpiperidin-1-yl]propanoate

C17H26N2O2 — CID 83993992

IUPACmethyl 3-[3-(benzylamino)-5-methylpiperidin-1-yl]propanoate
SMILESCOC(=O)CCN1CC(C)CC(NCc2ccccc2)C1
InChIInChI=1S/C17H26N2O2/c1-14-10-16(18-11-15-6-4-3-5-7-15)13-19(12-14)9-8-17(20)21-2/h3-7,14,16,18H,8-13H2,1-2H3
InChIKeyUXXONNONCKLHBK-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.05
Rot. Bonds6

About methyl 3-[3-(benzylamino)-5-methylpiperidin-1-yl]propanoate

methyl 3-[3-(benzylamino)-5-methylpiperidin-1-yl]propanoate (PubChem CID 83993992) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is methyl 3-[3-(benzylamino)-5-methylpiperidin-1-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[3-(benzylamino)-5-methylpiperidin-1-yl]propanoate
PubChem CID83993992
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Namemethyl 3-[3-(benzylamino)-5-methylpiperidin-1-yl]propanoate
SMILESCOC(=O)CCN1CC(C)CC(NCc2ccccc2)C1
InChIInChI=1S/C17H26N2O2/c1-14-10-16(18-11-15-6-4-3-5-7-15)13-19(12-14)9-8-17(20)21-2/h3-7,14,16,18H,8-13H2,1-2H3
InChIKeyUXXONNONCKLHBK-UHFFFAOYSA-N
XLogP2.05
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-1-butyl-5-methylpiperidin-3-amine
CID 112541370
N,1-dibenzyl-5-methylpiperidin-3-amine
CID 83993568
methyl 2-[5-(benzylamino)-1-propylpiperidin-3-yl]acetate
CID 83993524
methyl 3-[3-(methoxycarbonylamino)-5-methylpiperidin-1-yl]propanoate
CID 112543484
methyl 2-[3-(benzylamino)-5-(2-hydroxyethyl)piperidin-1-yl]acetate
CID 83994019
N-benzyl-1-[(4-fluorophenyl)methyl]-5-methylpiperidin-3-amine
CID 83993582
methyl 3-[3-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]propanoate
CID 112544763
1-benzyl-3-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethyl]urea
CID 51952341
methyl 3-(4-benzylpiperidin-1-yl)propanoate
CID 43091070
methyl 5-(benzylamino)-1-cyclobutylpiperidine-3-carboxylate
CID 83993878
ethyl 2-[5-(benzylamino)-1-ethylpiperidin-3-yl]acetate
CID 83993494
methyl 3-(benzylamino)cyclopentane-1-carboxylate
CID 67382791

Frequently Asked Questions

What is the IUPAC name of methyl 3-[3-(benzylamino)-5-methylpiperidin-1-yl]propanoate?
The IUPAC name of methyl 3-[3-(benzylamino)-5-methylpiperidin-1-yl]propanoate (CID 83993992) is methyl 3-[3-(benzylamino)-5-methylpiperidin-1-yl]propanoate.
What is the SMILES notation for methyl 3-[3-(benzylamino)-5-methylpiperidin-1-yl]propanoate?
The canonical SMILES for methyl 3-[3-(benzylamino)-5-methylpiperidin-1-yl]propanoate is COC(=O)CCN1CC(C)CC(NCc2ccccc2)C1.
What is the InChIKey of methyl 3-[3-(benzylamino)-5-methylpiperidin-1-yl]propanoate?
The InChIKey is UXXONNONCKLHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-14-10-16(18-11-15-6-4-3-5-7-15)13-19(12-14)9-8-17(20)21-2/h3-7,14,16,18H,8-13H2,1-2H3.
What are the key properties of methyl 3-[3-(benzylamino)-5-methylpiperidin-1-yl]propanoate?
methyl 3-[3-(benzylamino)-5-methylpiperidin-1-yl]propanoate has a molecular weight of 290.41 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[3-(benzylamino)-5-methylpiperidin-1-yl]propanoate is sourced from PubChem (CID 83993992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).