ethyl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-methylpiperidin-4-yl]carbamate

C16H32N4O2 — CID 134435192

IUPACethyl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-methylpiperidin-4-yl]carbamate
SMILESCCOC(=O)NC1(CN2CCN(CC)CC2)CCN(C)CC1
InChIInChI=1S/C16H32N4O2/c1-4-19-10-12-20(13-11-19)14-16(17-15(21)22-5-2)6-8-18(3)9-7-16/h4-14H2,1-3H3,(H,17,21)
InChIKeyBTNLKXHBEXAIRV-UHFFFAOYSA-N
MW312.46 g/mol
LogP0.83
Rot. Bonds5

About ethyl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-methylpiperidin-4-yl]carbamate

ethyl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-methylpiperidin-4-yl]carbamate (PubChem CID 134435192) has the molecular formula C16H32N4O2 and a molecular weight of 312.46 g/mol. Its IUPAC name is ethyl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-methylpiperidin-4-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-methylpiperidin-4-yl]carbamate
PubChem CID134435192
Molecular FormulaC16H32N4O2
Molecular Weight312.46 g/mol
Exact Mass312.25
IUPAC Nameethyl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-methylpiperidin-4-yl]carbamate
SMILESCCOC(=O)NC1(CN2CCN(CC)CC2)CCN(C)CC1
InChIInChI=1S/C16H32N4O2/c1-4-19-10-12-20(13-11-19)14-16(17-15(21)22-5-2)6-8-18(3)9-7-16/h4-14H2,1-3H3,(H,17,21)
InChIKeyBTNLKXHBEXAIRV-UHFFFAOYSA-N
XLogP0.83
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-methylpiperidin-4-yl]carbamate?
The IUPAC name of ethyl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-methylpiperidin-4-yl]carbamate (CID 134435192) is ethyl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-methylpiperidin-4-yl]carbamate.
What is the SMILES notation for ethyl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-methylpiperidin-4-yl]carbamate?
The canonical SMILES for ethyl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-methylpiperidin-4-yl]carbamate is CCOC(=O)NC1(CN2CCN(CC)CC2)CCN(C)CC1.
What is the InChIKey of ethyl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-methylpiperidin-4-yl]carbamate?
The InChIKey is BTNLKXHBEXAIRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4O2/c1-4-19-10-12-20(13-11-19)14-16(17-15(21)22-5-2)6-8-18(3)9-7-16/h4-14H2,1-3H3,(H,17,21).
What are the key properties of ethyl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-methylpiperidin-4-yl]carbamate?
ethyl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-methylpiperidin-4-yl]carbamate has a molecular weight of 312.46 g/mol, XLogP of 0.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-[(4-ethylpiperazin-1-yl)methyl]-1-methylpiperidin-4-yl]carbamate is sourced from PubChem (CID 134435192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).