ethyl 2-[4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]piperidin-1-yl]acetate

C19H35N3O4 — CID 126619796

IUPACethyl 2-[4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]piperidin-1-yl]acetate
SMILESCCOC(=O)CN1CCC(N2CCC(NC(=O)OC(C)(C)C)CC2)CC1
InChIInChI=1S/C19H35N3O4/c1-5-25-17(23)14-21-10-8-16(9-11-21)22-12-6-15(7-13-22)20-18(24)26-19(2,3)4/h15-16H,5-14H2,1-4H3,(H,20,24)
InChIKeyBORDCPGCZQMWQB-UHFFFAOYSA-N
MW369.51 g/mol
LogP2.00
Rot. Bonds5

About ethyl 2-[4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]piperidin-1-yl]acetate

ethyl 2-[4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]piperidin-1-yl]acetate (PubChem CID 126619796) has the molecular formula C19H35N3O4 and a molecular weight of 369.51 g/mol. Its IUPAC name is ethyl 2-[4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]piperidin-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]piperidin-1-yl]acetate
PubChem CID126619796
Molecular FormulaC19H35N3O4
Molecular Weight369.51 g/mol
Exact Mass369.26
IUPAC Nameethyl 2-[4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]piperidin-1-yl]acetate
SMILESCCOC(=O)CN1CCC(N2CCC(NC(=O)OC(C)(C)C)CC2)CC1
InChIInChI=1S/C19H35N3O4/c1-5-25-17(23)14-21-10-8-16(9-11-21)22-12-6-15(7-13-22)20-18(24)26-19(2,3)4/h15-16H,5-14H2,1-4H3,(H,20,24)
InChIKeyBORDCPGCZQMWQB-UHFFFAOYSA-N
XLogP2.00
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]piperidin-1-yl]acetate with MolForge

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Related Compounds

tert-butyl N-[1-(4-ethoxycyclohexyl)piperidin-4-yl]carbamate
CID 159168644
tert-butyl N-[1-(1-tert-butylpiperidin-4-yl)piperidin-4-yl]carbamate
CID 139430473
tert-butyl N-(1-cyclohexylpiperidin-4-yl)carbamate
CID 53255880
ethyl N-(1-cyclopropylpiperidin-4-yl)carbamate
CID 60709264
tert-butyl N-[1-(cyclopropylmethyl)piperidin-4-yl]carbamate
CID 53255882
tert-butyl N-(1-cyclopropylazocan-5-yl)carbamate
CID 166867024
ethyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-2-oxoacetate
CID 23565296
2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]ethylcarbamic acid
CID 90951819
tert-butyl N-[1-(4-methoxy-4-methylcyclohexyl)piperidin-4-yl]carbamate
CID 91018778
tert-butyl N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]carbamate
CID 22562166
tert-butyl N-(1-cyclopentylpyrrolidin-3-yl)carbamate
CID 68513412
tert-butyl N-[1-[2-(4-methylphenyl)-2-oxoethyl]piperidin-4-yl]carbamate
CID 56771205

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]piperidin-1-yl]acetate?
The IUPAC name of ethyl 2-[4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]piperidin-1-yl]acetate (CID 126619796) is ethyl 2-[4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]piperidin-1-yl]acetate.
What is the SMILES notation for ethyl 2-[4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]piperidin-1-yl]acetate?
The canonical SMILES for ethyl 2-[4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]piperidin-1-yl]acetate is CCOC(=O)CN1CCC(N2CCC(NC(=O)OC(C)(C)C)CC2)CC1.
What is the InChIKey of ethyl 2-[4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]piperidin-1-yl]acetate?
The InChIKey is BORDCPGCZQMWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N3O4/c1-5-25-17(23)14-21-10-8-16(9-11-21)22-12-6-15(7-13-22)20-18(24)26-19(2,3)4/h15-16H,5-14H2,1-4H3,(H,20,24).
What are the key properties of ethyl 2-[4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]piperidin-1-yl]acetate?
ethyl 2-[4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]piperidin-1-yl]acetate has a molecular weight of 369.51 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]piperidin-1-yl]acetate is sourced from PubChem (CID 126619796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).