methyl N-[1-(2-acetamidoethyl)-5-ethylpiperidin-3-yl]carbamate

C13H25N3O3 — CID 112543606

IUPACmethyl N-[1-(2-acetamidoethyl)-5-ethylpiperidin-3-yl]carbamate
SMILESCCC1CC(NC(=O)OC)CN(CCNC(C)=O)C1
InChIInChI=1S/C13H25N3O3/c1-4-11-7-12(15-13(18)19-3)9-16(8-11)6-5-14-10(2)17/h11-12H,4-9H2,1-3H3,(H,14,17)(H,15,18)
InChIKeyDVXAKGHTUAPUOV-UHFFFAOYSA-N
MW271.36 g/mol
LogP0.58
Rot. Bonds5

About methyl N-[1-(2-acetamidoethyl)-5-ethylpiperidin-3-yl]carbamate

methyl N-[1-(2-acetamidoethyl)-5-ethylpiperidin-3-yl]carbamate (PubChem CID 112543606) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is methyl N-[1-(2-acetamidoethyl)-5-ethylpiperidin-3-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[1-(2-acetamidoethyl)-5-ethylpiperidin-3-yl]carbamate
PubChem CID112543606
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC Namemethyl N-[1-(2-acetamidoethyl)-5-ethylpiperidin-3-yl]carbamate
SMILESCCC1CC(NC(=O)OC)CN(CCNC(C)=O)C1
InChIInChI=1S/C13H25N3O3/c1-4-11-7-12(15-13(18)19-3)9-16(8-11)6-5-14-10(2)17/h11-12H,4-9H2,1-3H3,(H,14,17)(H,15,18)
InChIKeyDVXAKGHTUAPUOV-UHFFFAOYSA-N
XLogP0.58
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-[1-(2-acetamidoethyl)-5-propylpiperidin-3-yl]carbamate
CID 112543607
methyl N-[1-(2-aminoethyl)-5-ethylpiperidin-3-yl]carbamate
CID 112543582
N-[2-[3-(cyclopentylmethylamino)-5-ethylpiperidin-1-yl]ethyl]acetamide
CID 83998272
N-[2-[3-ethyl-5-(2-methylpropylamino)piperidin-1-yl]ethyl]acetamide
CID 83994814
methyl N-[5-ethyl-1-(2-methylpropyl)piperidin-3-yl]carbamate
CID 112543072
methyl 3-[3-ethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]propanoate
CID 112544764
1-(2-acetamidoethyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-3-carboxylic acid
CID 112544888
N-[1-(2-acetamidoethyl)-5-propylpiperidin-3-yl]-2,2-dimethylpropanamide
CID 112542522
ethyl N-(1-butyl-5-ethylpiperidin-3-yl)carbamate
CID 112543729
3-[3-ethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]propanoic acid
CID 112544755
3-[5-(methoxycarbonylamino)-1-propylpiperidin-3-yl]propanoic acid
CID 112543061
methyl N-[1-butyl-5-(2-hydroxyethyl)piperidin-3-yl]carbamate
CID 112543097

Frequently Asked Questions

What is the IUPAC name of methyl N-[1-(2-acetamidoethyl)-5-ethylpiperidin-3-yl]carbamate?
The IUPAC name of methyl N-[1-(2-acetamidoethyl)-5-ethylpiperidin-3-yl]carbamate (CID 112543606) is methyl N-[1-(2-acetamidoethyl)-5-ethylpiperidin-3-yl]carbamate.
What is the SMILES notation for methyl N-[1-(2-acetamidoethyl)-5-ethylpiperidin-3-yl]carbamate?
The canonical SMILES for methyl N-[1-(2-acetamidoethyl)-5-ethylpiperidin-3-yl]carbamate is CCC1CC(NC(=O)OC)CN(CCNC(C)=O)C1.
What is the InChIKey of methyl N-[1-(2-acetamidoethyl)-5-ethylpiperidin-3-yl]carbamate?
The InChIKey is DVXAKGHTUAPUOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3/c1-4-11-7-12(15-13(18)19-3)9-16(8-11)6-5-14-10(2)17/h11-12H,4-9H2,1-3H3,(H,14,17)(H,15,18).
What are the key properties of methyl N-[1-(2-acetamidoethyl)-5-ethylpiperidin-3-yl]carbamate?
methyl N-[1-(2-acetamidoethyl)-5-ethylpiperidin-3-yl]carbamate has a molecular weight of 271.36 g/mol, XLogP of 0.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[1-(2-acetamidoethyl)-5-ethylpiperidin-3-yl]carbamate is sourced from PubChem (CID 112543606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).