methyl 2-[1-(cyclopropylmethyl)-5-(ethylamino)piperidin-3-yl]acetate

C14H26N2O2 — CID 83990573

IUPACmethyl 2-[1-(cyclopropylmethyl)-5-(ethylamino)piperidin-3-yl]acetate
SMILESCCNC1CC(CC(=O)OC)CN(CC2CC2)C1
InChIInChI=1S/C14H26N2O2/c1-3-15-13-6-12(7-14(17)18-2)9-16(10-13)8-11-4-5-11/h11-13,15H,3-10H2,1-2H3
InChIKeyYFOWWQBNNZKXED-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.26
Rot. Bonds6

About methyl 2-[1-(cyclopropylmethyl)-5-(ethylamino)piperidin-3-yl]acetate

methyl 2-[1-(cyclopropylmethyl)-5-(ethylamino)piperidin-3-yl]acetate (PubChem CID 83990573) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is methyl 2-[1-(cyclopropylmethyl)-5-(ethylamino)piperidin-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-(cyclopropylmethyl)-5-(ethylamino)piperidin-3-yl]acetate
PubChem CID83990573
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Namemethyl 2-[1-(cyclopropylmethyl)-5-(ethylamino)piperidin-3-yl]acetate
SMILESCCNC1CC(CC(=O)OC)CN(CC2CC2)C1
InChIInChI=1S/C14H26N2O2/c1-3-15-13-6-12(7-14(17)18-2)9-16(10-13)8-11-4-5-11/h11-13,15H,3-10H2,1-2H3
InChIKeyYFOWWQBNNZKXED-UHFFFAOYSA-N
XLogP1.26
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[1-ethyl-5-(ethylamino)piperidin-3-yl]acetate
CID 83990197
methyl 2-[5-(cyclobutylmethylamino)-1-ethylpiperidin-3-yl]acetate
CID 83996950
methyl 2-[1-ethyl-5-(2-methylpropylamino)piperidin-3-yl]acetate
CID 83994184
2-[1-(cyclopropylmethyl)-5-(methylamino)piperidin-3-yl]acetic acid
CID 83989945
methyl 2-[1-(2-amino-2-oxoethyl)-5-(propylamino)piperidin-3-yl]acetate
CID 83991353
methyl 2-[1-butyl-5-(cyclobutylmethylamino)piperidin-3-yl]acetate
CID 83997020
2-[5-(cyclopentylmethylamino)-1-(cyclopropylmethyl)piperidin-3-yl]acetic acid
CID 83998068
methyl 3-[5-(ethylamino)-1-propylpiperidin-3-yl]propanoate
CID 83990231
methyl N-[1-(cyclopropylmethyl)-5-propylpiperidin-3-yl]carbamate
CID 112543409
methyl 2-[1-(2-amino-2-oxoethyl)-5-(cyclopropylamino)piperidin-3-yl]acetate
CID 83991990
methyl N-[1,5-bis(cyclopropylmethyl)piperidin-3-yl]carbamate
CID 112543412
2-[1-(cyclopropylmethyl)-5-(3-methylbutylamino)piperidin-3-yl]acetic acid
CID 83995994

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(cyclopropylmethyl)-5-(ethylamino)piperidin-3-yl]acetate?
The IUPAC name of methyl 2-[1-(cyclopropylmethyl)-5-(ethylamino)piperidin-3-yl]acetate (CID 83990573) is methyl 2-[1-(cyclopropylmethyl)-5-(ethylamino)piperidin-3-yl]acetate.
What is the SMILES notation for methyl 2-[1-(cyclopropylmethyl)-5-(ethylamino)piperidin-3-yl]acetate?
The canonical SMILES for methyl 2-[1-(cyclopropylmethyl)-5-(ethylamino)piperidin-3-yl]acetate is CCNC1CC(CC(=O)OC)CN(CC2CC2)C1.
What is the InChIKey of methyl 2-[1-(cyclopropylmethyl)-5-(ethylamino)piperidin-3-yl]acetate?
The InChIKey is YFOWWQBNNZKXED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-3-15-13-6-12(7-14(17)18-2)9-16(10-13)8-11-4-5-11/h11-13,15H,3-10H2,1-2H3.
What are the key properties of methyl 2-[1-(cyclopropylmethyl)-5-(ethylamino)piperidin-3-yl]acetate?
methyl 2-[1-(cyclopropylmethyl)-5-(ethylamino)piperidin-3-yl]acetate has a molecular weight of 254.37 g/mol, XLogP of 1.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(cyclopropylmethyl)-5-(ethylamino)piperidin-3-yl]acetate is sourced from PubChem (CID 83990573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).