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

C14H27N3O3 — CID 112543607

IUPACmethyl N-[1-(2-acetamidoethyl)-5-propylpiperidin-3-yl]carbamate
SMILESCCCC1CC(NC(=O)OC)CN(CCNC(C)=O)C1
InChIInChI=1S/C14H27N3O3/c1-4-5-12-8-13(16-14(19)20-3)10-17(9-12)7-6-15-11(2)18/h12-13H,4-10H2,1-3H3,(H,15,18)(H,16,19)
InChIKeyRBTIYGHOSJINSO-UHFFFAOYSA-N
MW285.39 g/mol
LogP0.97
Rot. Bonds6

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

methyl N-[1-(2-acetamidoethyl)-5-propylpiperidin-3-yl]carbamate (PubChem CID 112543607) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is methyl N-[1-(2-acetamidoethyl)-5-propylpiperidin-3-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[1-(2-acetamidoethyl)-5-propylpiperidin-3-yl]carbamate
PubChem CID112543607
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC Namemethyl N-[1-(2-acetamidoethyl)-5-propylpiperidin-3-yl]carbamate
SMILESCCCC1CC(NC(=O)OC)CN(CCNC(C)=O)C1
InChIInChI=1S/C14H27N3O3/c1-4-5-12-8-13(16-14(19)20-3)10-17(9-12)7-6-15-11(2)18/h12-13H,4-10H2,1-3H3,(H,15,18)(H,16,19)
InChIKeyRBTIYGHOSJINSO-UHFFFAOYSA-N
XLogP0.97
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl N-[1-(2-acetamidoethyl)-5-ethylpiperidin-3-yl]carbamate
CID 112543606
N-[1-(2-acetamidoethyl)-5-propylpiperidin-3-yl]-2,2-dimethylpropanamide
CID 112542522
N-[2-[3-propyl-5-(2,2,2-trifluoroethylamino)piperidin-1-yl]ethyl]acetamide
CID 83992738
methyl N-[1-(cyclopropylmethyl)-5-propylpiperidin-3-yl]carbamate
CID 112543409
2-[3-(methoxycarbonylamino)-5-propylpiperidin-1-yl]acetic acid
CID 112543490
3-[5-(methoxycarbonylamino)-1-propylpiperidin-3-yl]propanoic acid
CID 112543061
methyl N-[1-butyl-5-(2-hydroxyethyl)piperidin-3-yl]carbamate
CID 112543097
ethyl N-(1,5-dipropylpiperidin-3-yl)carbamate
CID 112543689
methyl N-[1-(2-aminoethyl)-5-ethylpiperidin-3-yl]carbamate
CID 112543582
1-(2-acetamidoethyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-3-carboxylic acid
CID 112544888
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

Frequently Asked Questions

What is the IUPAC name of methyl N-[1-(2-acetamidoethyl)-5-propylpiperidin-3-yl]carbamate?
The IUPAC name of methyl N-[1-(2-acetamidoethyl)-5-propylpiperidin-3-yl]carbamate (CID 112543607) is methyl N-[1-(2-acetamidoethyl)-5-propylpiperidin-3-yl]carbamate.
What is the SMILES notation for methyl N-[1-(2-acetamidoethyl)-5-propylpiperidin-3-yl]carbamate?
The canonical SMILES for methyl N-[1-(2-acetamidoethyl)-5-propylpiperidin-3-yl]carbamate is CCCC1CC(NC(=O)OC)CN(CCNC(C)=O)C1.
What is the InChIKey of methyl N-[1-(2-acetamidoethyl)-5-propylpiperidin-3-yl]carbamate?
The InChIKey is RBTIYGHOSJINSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-4-5-12-8-13(16-14(19)20-3)10-17(9-12)7-6-15-11(2)18/h12-13H,4-10H2,1-3H3,(H,15,18)(H,16,19).
What are the key properties of methyl N-[1-(2-acetamidoethyl)-5-propylpiperidin-3-yl]carbamate?
methyl N-[1-(2-acetamidoethyl)-5-propylpiperidin-3-yl]carbamate has a molecular weight of 285.39 g/mol, XLogP of 0.97, 6 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-propylpiperidin-3-yl]carbamate is sourced from PubChem (CID 112543607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).