ethyl N-[1-methyl-4-(morpholin-4-ylmethyl)piperidin-4-yl]carbamate

C14H27N3O3 — CID 134435020

IUPACethyl N-[1-methyl-4-(morpholin-4-ylmethyl)piperidin-4-yl]carbamate
SMILESCCOC(=O)NC1(CN2CCOCC2)CCN(C)CC1
InChIInChI=1S/C14H27N3O3/c1-3-20-13(18)15-14(4-6-16(2)7-5-14)12-17-8-10-19-11-9-17/h3-12H2,1-2H3,(H,15,18)
InChIKeyWRHDBSAVTCGWDX-UHFFFAOYSA-N
MW285.39 g/mol
LogP0.53
Rot. Bonds4

About ethyl N-[1-methyl-4-(morpholin-4-ylmethyl)piperidin-4-yl]carbamate

ethyl N-[1-methyl-4-(morpholin-4-ylmethyl)piperidin-4-yl]carbamate (PubChem CID 134435020) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is ethyl N-[1-methyl-4-(morpholin-4-ylmethyl)piperidin-4-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[1-methyl-4-(morpholin-4-ylmethyl)piperidin-4-yl]carbamate
PubChem CID134435020
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC Nameethyl N-[1-methyl-4-(morpholin-4-ylmethyl)piperidin-4-yl]carbamate
SMILESCCOC(=O)NC1(CN2CCOCC2)CCN(C)CC1
InChIInChI=1S/C14H27N3O3/c1-3-20-13(18)15-14(4-6-16(2)7-5-14)12-17-8-10-19-11-9-17/h3-12H2,1-2H3,(H,15,18)
InChIKeyWRHDBSAVTCGWDX-UHFFFAOYSA-N
XLogP0.53
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[1-methyl-4-(morpholin-4-ylmethyl)piperidin-4-yl]carbamate?
The IUPAC name of ethyl N-[1-methyl-4-(morpholin-4-ylmethyl)piperidin-4-yl]carbamate (CID 134435020) is ethyl N-[1-methyl-4-(morpholin-4-ylmethyl)piperidin-4-yl]carbamate.
What is the SMILES notation for ethyl N-[1-methyl-4-(morpholin-4-ylmethyl)piperidin-4-yl]carbamate?
The canonical SMILES for ethyl N-[1-methyl-4-(morpholin-4-ylmethyl)piperidin-4-yl]carbamate is CCOC(=O)NC1(CN2CCOCC2)CCN(C)CC1.
What is the InChIKey of ethyl N-[1-methyl-4-(morpholin-4-ylmethyl)piperidin-4-yl]carbamate?
The InChIKey is WRHDBSAVTCGWDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-3-20-13(18)15-14(4-6-16(2)7-5-14)12-17-8-10-19-11-9-17/h3-12H2,1-2H3,(H,15,18).
What are the key properties of ethyl N-[1-methyl-4-(morpholin-4-ylmethyl)piperidin-4-yl]carbamate?
ethyl N-[1-methyl-4-(morpholin-4-ylmethyl)piperidin-4-yl]carbamate has a molecular weight of 285.39 g/mol, XLogP of 0.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[1-methyl-4-(morpholin-4-ylmethyl)piperidin-4-yl]carbamate is sourced from PubChem (CID 134435020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).