tert-butyl 2-[3-(cyclopentylmethylamino)-5-methylpiperidin-1-yl]acetate

C18H34N2O2 — CID 83998177

IUPACtert-butyl 2-[3-(cyclopentylmethylamino)-5-methylpiperidin-1-yl]acetate
SMILESCC1CC(NCC2CCCC2)CN(CC(=O)OC(C)(C)C)C1
InChIInChI=1S/C18H34N2O2/c1-14-9-16(19-10-15-7-5-6-8-15)12-20(11-14)13-17(21)22-18(2,3)4/h14-16,19H,5-13H2,1-4H3
InChIKeyYZMBFNDROCBBFX-UHFFFAOYSA-N
MW310.48 g/mol
LogP2.82
Rot. Bonds5

About tert-butyl 2-[3-(cyclopentylmethylamino)-5-methylpiperidin-1-yl]acetate

tert-butyl 2-[3-(cyclopentylmethylamino)-5-methylpiperidin-1-yl]acetate (PubChem CID 83998177) has the molecular formula C18H34N2O2 and a molecular weight of 310.48 g/mol. Its IUPAC name is tert-butyl 2-[3-(cyclopentylmethylamino)-5-methylpiperidin-1-yl]acetate.

Molecular Properties

Compound Nametert-butyl 2-[3-(cyclopentylmethylamino)-5-methylpiperidin-1-yl]acetate
PubChem CID83998177
Molecular FormulaC18H34N2O2
Molecular Weight310.48 g/mol
Exact Mass310.26
IUPAC Nametert-butyl 2-[3-(cyclopentylmethylamino)-5-methylpiperidin-1-yl]acetate
SMILESCC1CC(NCC2CCCC2)CN(CC(=O)OC(C)(C)C)C1
InChIInChI=1S/C18H34N2O2/c1-14-9-16(19-10-15-7-5-6-8-15)12-20(11-14)13-17(21)22-18(2,3)4/h14-16,19H,5-13H2,1-4H3
InChIKeyYZMBFNDROCBBFX-UHFFFAOYSA-N
XLogP2.82
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.48
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-[3-(cyclopentylmethylamino)piperidin-1-yl]acetate
CID 83998176
2-[3-(cyclopentylmethylamino)-5-methylpiperidin-1-yl]acetamide
CID 83998206
tert-butyl 2-[3-(cyclopropylmethylamino)piperidin-1-yl]acetate
CID 83996792
tert-butyl 3-(cyclopropylmethylamino)-5-methylpiperidine-1-carboxylate
CID 83996404
methyl 2-[3-(2,2-dimethylpropylamino)-5-methylpiperidin-1-yl]acetate
CID 83995396
N-(cyclopentylmethyl)-5-methyl-1-(2-methylpropyl)piperidin-3-amine
CID 83997686
N-[2-[3-(cyclobutylmethylamino)-5-methylpiperidin-1-yl]ethyl]acetamide
CID 83997579
methyl 2-[3-(cyclohexylmethylamino)-5-(cyclopropylmethyl)piperidin-1-yl]acetate
CID 83998859
tert-butyl 3-(cyclohexylmethylamino)azetidine-1-carboxylate
CID 63302844
tert-butyl 2-[3-(methylamino)piperidin-1-yl]acetate
CID 55138302
2-[3-(cyclobutylmethylamino)-5-(2,2-dimethylpropyl)piperidin-1-yl]acetic acid
CID 83997461
tert-butyl 2-[3-(cyclohexylamino)piperidin-1-yl]acetate
CID 83999559

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[3-(cyclopentylmethylamino)-5-methylpiperidin-1-yl]acetate?
The IUPAC name of tert-butyl 2-[3-(cyclopentylmethylamino)-5-methylpiperidin-1-yl]acetate (CID 83998177) is tert-butyl 2-[3-(cyclopentylmethylamino)-5-methylpiperidin-1-yl]acetate.
What is the SMILES notation for tert-butyl 2-[3-(cyclopentylmethylamino)-5-methylpiperidin-1-yl]acetate?
The canonical SMILES for tert-butyl 2-[3-(cyclopentylmethylamino)-5-methylpiperidin-1-yl]acetate is CC1CC(NCC2CCCC2)CN(CC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 2-[3-(cyclopentylmethylamino)-5-methylpiperidin-1-yl]acetate?
The InChIKey is YZMBFNDROCBBFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O2/c1-14-9-16(19-10-15-7-5-6-8-15)12-20(11-14)13-17(21)22-18(2,3)4/h14-16,19H,5-13H2,1-4H3.
What are the key properties of tert-butyl 2-[3-(cyclopentylmethylamino)-5-methylpiperidin-1-yl]acetate?
tert-butyl 2-[3-(cyclopentylmethylamino)-5-methylpiperidin-1-yl]acetate has a molecular weight of 310.48 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[3-(cyclopentylmethylamino)-5-methylpiperidin-1-yl]acetate is sourced from PubChem (CID 83998177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).