methyl 3-[5-(ethoxycarbonylamino)-1-propylpiperidin-3-yl]propanoate

C15H28N2O4 — CID 112543702

IUPACmethyl 3-[5-(ethoxycarbonylamino)-1-propylpiperidin-3-yl]propanoate
SMILESCCCN1CC(CCC(=O)OC)CC(NC(=O)OCC)C1
InChIInChI=1S/C15H28N2O4/c1-4-8-17-10-12(6-7-14(18)20-3)9-13(11-17)16-15(19)21-5-2/h12-13H,4-11H2,1-3H3,(H,16,19)
InChIKeyMXHCKOBPMIQGMU-UHFFFAOYSA-N
MW300.40 g/mol
LogP1.79
Rot. Bonds7

About methyl 3-[5-(ethoxycarbonylamino)-1-propylpiperidin-3-yl]propanoate

methyl 3-[5-(ethoxycarbonylamino)-1-propylpiperidin-3-yl]propanoate (PubChem CID 112543702) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is methyl 3-[5-(ethoxycarbonylamino)-1-propylpiperidin-3-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[5-(ethoxycarbonylamino)-1-propylpiperidin-3-yl]propanoate
PubChem CID112543702
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC Namemethyl 3-[5-(ethoxycarbonylamino)-1-propylpiperidin-3-yl]propanoate
SMILESCCCN1CC(CCC(=O)OC)CC(NC(=O)OCC)C1
InChIInChI=1S/C15H28N2O4/c1-4-8-17-10-12(6-7-14(18)20-3)9-13(11-17)16-15(19)21-5-2/h12-13H,4-11H2,1-3H3,(H,16,19)
InChIKeyMXHCKOBPMIQGMU-UHFFFAOYSA-N
XLogP1.79
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl N-(1,5-dipropylpiperidin-3-yl)carbamate
CID 112543689
methyl 3-[5-(ethylamino)-1-propylpiperidin-3-yl]propanoate
CID 83990231
3-[5-(methoxycarbonylamino)-1-propylpiperidin-3-yl]propanoic acid
CID 112543061
ethyl N-(1,5-dibutylpiperidin-3-yl)carbamate
CID 112543731
methyl 3-[5-(2,2-difluoroethylamino)-1-propylpiperidin-3-yl]propanoate
CID 83992834
3-[3-(ethoxycarbonylamino)-5-(2-hydroxyethyl)piperidin-1-yl]propanoic acid
CID 112544123
ethyl N-(1-butyl-5-ethylpiperidin-3-yl)carbamate
CID 112543729
methyl 3-[3-(ethoxycarbonylamino)-5-propan-2-ylpiperidin-1-yl]propanoate
CID 112544128
methyl 2-[1-(cyanomethyl)-5-(ethoxycarbonylamino)piperidin-3-yl]acetate
CID 112544170
3-[5-(ethoxycarbonylamino)-1-(2-methylpropyl)piperidin-3-yl]propanoic acid
CID 112543723
ethyl N-[1-(cyclopropylmethyl)-5-(3-hydroxypropyl)piperidin-3-yl]carbamate
CID 112544061
ethyl N-[5-(2-hydroxyethyl)-1-methylpiperidin-3-yl]carbamate
CID 112543627

Frequently Asked Questions

What is the IUPAC name of methyl 3-[5-(ethoxycarbonylamino)-1-propylpiperidin-3-yl]propanoate?
The IUPAC name of methyl 3-[5-(ethoxycarbonylamino)-1-propylpiperidin-3-yl]propanoate (CID 112543702) is methyl 3-[5-(ethoxycarbonylamino)-1-propylpiperidin-3-yl]propanoate.
What is the SMILES notation for methyl 3-[5-(ethoxycarbonylamino)-1-propylpiperidin-3-yl]propanoate?
The canonical SMILES for methyl 3-[5-(ethoxycarbonylamino)-1-propylpiperidin-3-yl]propanoate is CCCN1CC(CCC(=O)OC)CC(NC(=O)OCC)C1.
What is the InChIKey of methyl 3-[5-(ethoxycarbonylamino)-1-propylpiperidin-3-yl]propanoate?
The InChIKey is MXHCKOBPMIQGMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O4/c1-4-8-17-10-12(6-7-14(18)20-3)9-13(11-17)16-15(19)21-5-2/h12-13H,4-11H2,1-3H3,(H,16,19).
What are the key properties of methyl 3-[5-(ethoxycarbonylamino)-1-propylpiperidin-3-yl]propanoate?
methyl 3-[5-(ethoxycarbonylamino)-1-propylpiperidin-3-yl]propanoate has a molecular weight of 300.40 g/mol, XLogP of 1.79, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[5-(ethoxycarbonylamino)-1-propylpiperidin-3-yl]propanoate is sourced from PubChem (CID 112543702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).