ethyl 2-[1-methyl-5-(phenylmethoxycarbonylamino)piperidin-3-yl]acetate

C18H26N2O4 — CID 112544906

IUPACethyl 2-[1-methyl-5-(phenylmethoxycarbonylamino)piperidin-3-yl]acetate
SMILESCCOC(=O)CC1CC(NC(=O)OCc2ccccc2)CN(C)C1
InChIInChI=1S/C18H26N2O4/c1-3-23-17(21)10-15-9-16(12-20(2)11-15)19-18(22)24-13-14-7-5-4-6-8-14/h4-8,15-16H,3,9-13H2,1-2H3,(H,19,22)
InChIKeyOHXDKOIWTRQZTJ-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.19
Rot. Bonds6

About ethyl 2-[1-methyl-5-(phenylmethoxycarbonylamino)piperidin-3-yl]acetate

ethyl 2-[1-methyl-5-(phenylmethoxycarbonylamino)piperidin-3-yl]acetate (PubChem CID 112544906) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is ethyl 2-[1-methyl-5-(phenylmethoxycarbonylamino)piperidin-3-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[1-methyl-5-(phenylmethoxycarbonylamino)piperidin-3-yl]acetate
PubChem CID112544906
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC Nameethyl 2-[1-methyl-5-(phenylmethoxycarbonylamino)piperidin-3-yl]acetate
SMILESCCOC(=O)CC1CC(NC(=O)OCc2ccccc2)CN(C)C1
InChIInChI=1S/C18H26N2O4/c1-3-23-17(21)10-15-9-16(12-20(2)11-15)19-18(22)24-13-14-7-5-4-6-8-14/h4-8,15-16H,3,9-13H2,1-2H3,(H,19,22)
InChIKeyOHXDKOIWTRQZTJ-UHFFFAOYSA-N
XLogP2.19
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl N-(5-ethyl-1-propanoylpiperidin-3-yl)carbamate
CID 112545027
benzyl N-[1-(cyclopropylmethyl)-5-ethylpiperidin-3-yl]carbamate
CID 112545085
benzyl N-[1-(cyclobutylmethyl)-5-ethylpiperidin-3-yl]carbamate
CID 112545097
benzyl N-(3-aminocyclobutyl)carbamate;hydrochloride
CID 122164408
2-[(1R,3S)-3-(phenylmethoxycarbonylamino)cyclopentyl]acetic acid
CID 165486263
benzyl N-[3,5-bis(phenylmethoxycarbonylamino)cyclohexyl]carbamate
CID 102080822
ethyl 2-[5-(benzylamino)-1-ethylpiperidin-3-yl]acetate
CID 83993494
benzyl N-[5-ethyl-1-(2-methylpropyl)piperidin-3-yl]carbamate
CID 112544957
benzyl N-(1-methylpiperidin-4-yl)carbamate;hydrochloride
CID 141061173
benzyl N-[1-(cyclopropylmethyl)-5-methylpiperidin-3-yl]carbamate
CID 112545084
benzyl N-[1-(cyanomethyl)-5-ethylpiperidin-3-yl]carbamate
CID 112545113
benzyl N-(5-butyl-1-carbamoylpiperidin-3-yl)carbamate
CID 112545003

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-methyl-5-(phenylmethoxycarbonylamino)piperidin-3-yl]acetate?
The IUPAC name of ethyl 2-[1-methyl-5-(phenylmethoxycarbonylamino)piperidin-3-yl]acetate (CID 112544906) is ethyl 2-[1-methyl-5-(phenylmethoxycarbonylamino)piperidin-3-yl]acetate.
What is the SMILES notation for ethyl 2-[1-methyl-5-(phenylmethoxycarbonylamino)piperidin-3-yl]acetate?
The canonical SMILES for ethyl 2-[1-methyl-5-(phenylmethoxycarbonylamino)piperidin-3-yl]acetate is CCOC(=O)CC1CC(NC(=O)OCc2ccccc2)CN(C)C1.
What is the InChIKey of ethyl 2-[1-methyl-5-(phenylmethoxycarbonylamino)piperidin-3-yl]acetate?
The InChIKey is OHXDKOIWTRQZTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-3-23-17(21)10-15-9-16(12-20(2)11-15)19-18(22)24-13-14-7-5-4-6-8-14/h4-8,15-16H,3,9-13H2,1-2H3,(H,19,22).
What are the key properties of ethyl 2-[1-methyl-5-(phenylmethoxycarbonylamino)piperidin-3-yl]acetate?
ethyl 2-[1-methyl-5-(phenylmethoxycarbonylamino)piperidin-3-yl]acetate has a molecular weight of 334.42 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-methyl-5-(phenylmethoxycarbonylamino)piperidin-3-yl]acetate is sourced from PubChem (CID 112544906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).