methyl 3-[3-(ethoxycarbonylamino)-5-propan-2-ylpiperidin-1-yl]propanoate

C15H28N2O4 — CID 112544128

IUPACmethyl 3-[3-(ethoxycarbonylamino)-5-propan-2-ylpiperidin-1-yl]propanoate
SMILESCCOC(=O)NC1CC(C(C)C)CN(CCC(=O)OC)C1
InChIInChI=1S/C15H28N2O4/c1-5-21-15(19)16-13-8-12(11(2)3)9-17(10-13)7-6-14(18)20-4/h11-13H,5-10H2,1-4H3,(H,16,19)
InChIKeySUZGCWPLNMSLTA-UHFFFAOYSA-N
MW300.40 g/mol
LogP1.64
Rot. Bonds6

About methyl 3-[3-(ethoxycarbonylamino)-5-propan-2-ylpiperidin-1-yl]propanoate

methyl 3-[3-(ethoxycarbonylamino)-5-propan-2-ylpiperidin-1-yl]propanoate (PubChem CID 112544128) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is methyl 3-[3-(ethoxycarbonylamino)-5-propan-2-ylpiperidin-1-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[3-(ethoxycarbonylamino)-5-propan-2-ylpiperidin-1-yl]propanoate
PubChem CID112544128
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC Namemethyl 3-[3-(ethoxycarbonylamino)-5-propan-2-ylpiperidin-1-yl]propanoate
SMILESCCOC(=O)NC1CC(C(C)C)CN(CCC(=O)OC)C1
InChIInChI=1S/C15H28N2O4/c1-5-21-15(19)16-13-8-12(11(2)3)9-17(10-13)7-6-14(18)20-4/h11-13H,5-10H2,1-4H3,(H,16,19)
InChIKeySUZGCWPLNMSLTA-UHFFFAOYSA-N
XLogP1.64
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl N-[1-(cyclopropylmethyl)-5-propan-2-ylpiperidin-3-yl]carbamate
CID 112544052
methyl 3-[5-(ethoxycarbonylamino)-1-propylpiperidin-3-yl]propanoate
CID 112543702
ethyl N-[5-(1-hydroxyethyl)-1-(2-methylpropyl)piperidin-3-yl]carbamate
CID 112543725
methyl 3-[3-(methoxycarbonylamino)-5-methylpiperidin-1-yl]propanoate
CID 112543484
methyl N-[1-(cyanomethyl)-5-propan-2-ylpiperidin-3-yl]carbamate
CID 112543520
methyl N-(1-methyl-5-propan-2-ylpiperidin-3-yl)carbamate
CID 112542976
methyl 3-[3-ethyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]propanoate
CID 112544764
3-[3-(ethoxycarbonylamino)-5-(2-hydroxyethyl)piperidin-1-yl]propanoic acid
CID 112544123
ethyl 3-(ethoxycarbonylamino)-5-(1-hydroxyethyl)piperidine-1-carboxylate
CID 112543799
ethyl N-(1,5-dipropylpiperidin-3-yl)carbamate
CID 112543689
methyl 3-[3-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]propanoate
CID 112544763
ethyl 2-[3-(3-methylbutylamino)-5-propan-2-ylpiperidin-1-yl]acetate
CID 83996101

Frequently Asked Questions

What is the IUPAC name of methyl 3-[3-(ethoxycarbonylamino)-5-propan-2-ylpiperidin-1-yl]propanoate?
The IUPAC name of methyl 3-[3-(ethoxycarbonylamino)-5-propan-2-ylpiperidin-1-yl]propanoate (CID 112544128) is methyl 3-[3-(ethoxycarbonylamino)-5-propan-2-ylpiperidin-1-yl]propanoate.
What is the SMILES notation for methyl 3-[3-(ethoxycarbonylamino)-5-propan-2-ylpiperidin-1-yl]propanoate?
The canonical SMILES for methyl 3-[3-(ethoxycarbonylamino)-5-propan-2-ylpiperidin-1-yl]propanoate is CCOC(=O)NC1CC(C(C)C)CN(CCC(=O)OC)C1.
What is the InChIKey of methyl 3-[3-(ethoxycarbonylamino)-5-propan-2-ylpiperidin-1-yl]propanoate?
The InChIKey is SUZGCWPLNMSLTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O4/c1-5-21-15(19)16-13-8-12(11(2)3)9-17(10-13)7-6-14(18)20-4/h11-13H,5-10H2,1-4H3,(H,16,19).
What are the key properties of methyl 3-[3-(ethoxycarbonylamino)-5-propan-2-ylpiperidin-1-yl]propanoate?
methyl 3-[3-(ethoxycarbonylamino)-5-propan-2-ylpiperidin-1-yl]propanoate has a molecular weight of 300.40 g/mol, XLogP of 1.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[3-(ethoxycarbonylamino)-5-propan-2-ylpiperidin-1-yl]propanoate is sourced from PubChem (CID 112544128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).