ethyl 2-[1-cyclopropyl-5-(cyclopropylmethylamino)piperidin-3-yl]acetate

C16H28N2O2 — CID 83996617

IUPACethyl 2-[1-cyclopropyl-5-(cyclopropylmethylamino)piperidin-3-yl]acetate
SMILESCCOC(=O)CC1CC(NCC2CC2)CN(C2CC2)C1
InChIInChI=1S/C16H28N2O2/c1-2-20-16(19)8-13-7-14(17-9-12-3-4-12)11-18(10-13)15-5-6-15/h12-15,17H,2-11H2,1H3
InChIKeyOXOVAOBCHSXOPX-UHFFFAOYSA-N
MW280.41 g/mol
LogP1.79
Rot. Bonds7

About ethyl 2-[1-cyclopropyl-5-(cyclopropylmethylamino)piperidin-3-yl]acetate

ethyl 2-[1-cyclopropyl-5-(cyclopropylmethylamino)piperidin-3-yl]acetate (PubChem CID 83996617) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is ethyl 2-[1-cyclopropyl-5-(cyclopropylmethylamino)piperidin-3-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[1-cyclopropyl-5-(cyclopropylmethylamino)piperidin-3-yl]acetate
PubChem CID83996617
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Nameethyl 2-[1-cyclopropyl-5-(cyclopropylmethylamino)piperidin-3-yl]acetate
SMILESCCOC(=O)CC1CC(NCC2CC2)CN(C2CC2)C1
InChIInChI=1S/C16H28N2O2/c1-2-20-16(19)8-13-7-14(17-9-12-3-4-12)11-18(10-13)15-5-6-15/h12-15,17H,2-11H2,1H3
InChIKeyOXOVAOBCHSXOPX-UHFFFAOYSA-N
XLogP1.79
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[1-cyclobutyl-5-(cyclohexylmethylamino)piperidin-3-yl]acetate
CID 83998723
2-[5-(cyclobutylmethylamino)-1-cyclopropylpiperidin-3-yl]acetic acid
CID 83997306
ethyl 2-[5-(cyclohexylmethylamino)-1-propylpiperidin-3-yl]acetate
CID 83998366
methyl 2-[1-cyclopropyl-5-(2,2-difluoroethylamino)piperidin-3-yl]acetate
CID 83993158
methyl 2-[5-(cyclobutylmethylamino)-1-ethylpiperidin-3-yl]acetate
CID 83996950
1-cyclohexyl-N-(cyclopentylmethyl)-5-ethylpiperidin-3-amine
CID 83998013
2-[1-cyclopropyl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]acetic acid
CID 83992463
2-[1-cyclobutyl-5-(ethylamino)piperidin-3-yl]acetic acid
CID 83990535
ethyl 2-[5-(cyclopropylamino)-1-propylpiperidin-3-yl]acetate
CID 83991501
1-[1-cyclobutyl-5-(cyclopropylmethylamino)piperidin-3-yl]butan-2-ol
CID 83996653
ethyl 2-[5-(2,2-difluoroethylamino)-1-methylpiperidin-3-yl]acetate
CID 83992762
2-[5-(cyclopropylmethylamino)-1-methylpiperidin-3-yl]acetic acid
CID 83996220

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-cyclopropyl-5-(cyclopropylmethylamino)piperidin-3-yl]acetate?
The IUPAC name of ethyl 2-[1-cyclopropyl-5-(cyclopropylmethylamino)piperidin-3-yl]acetate (CID 83996617) is ethyl 2-[1-cyclopropyl-5-(cyclopropylmethylamino)piperidin-3-yl]acetate.
What is the SMILES notation for ethyl 2-[1-cyclopropyl-5-(cyclopropylmethylamino)piperidin-3-yl]acetate?
The canonical SMILES for ethyl 2-[1-cyclopropyl-5-(cyclopropylmethylamino)piperidin-3-yl]acetate is CCOC(=O)CC1CC(NCC2CC2)CN(C2CC2)C1.
What is the InChIKey of ethyl 2-[1-cyclopropyl-5-(cyclopropylmethylamino)piperidin-3-yl]acetate?
The InChIKey is OXOVAOBCHSXOPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-2-20-16(19)8-13-7-14(17-9-12-3-4-12)11-18(10-13)15-5-6-15/h12-15,17H,2-11H2,1H3.
What are the key properties of ethyl 2-[1-cyclopropyl-5-(cyclopropylmethylamino)piperidin-3-yl]acetate?
ethyl 2-[1-cyclopropyl-5-(cyclopropylmethylamino)piperidin-3-yl]acetate has a molecular weight of 280.41 g/mol, XLogP of 1.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-cyclopropyl-5-(cyclopropylmethylamino)piperidin-3-yl]acetate is sourced from PubChem (CID 83996617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).