tert-butyl N-[2-[4-(morpholin-4-ylcarbamoylamino)piperidine-1-carbonyl]cyclohexyl]carbamate

C22H39N5O5 — CID 70194445

IUPACtert-butyl N-[2-[4-(morpholin-4-ylcarbamoylamino)piperidine-1-carbonyl]cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCCCC1C(=O)N1CCC(NC(=O)NN2CCOCC2)CC1
InChIInChI=1S/C22H39N5O5/c1-22(2,3)32-21(30)24-18-7-5-4-6-17(18)19(28)26-10-8-16(9-11-26)23-20(29)25-27-12-14-31-15-13-27/h16-18H,4-15H2,1-3H3,(H,24,30)(H2,23,25,29)
InChIKeyJRAVXWRYDMZXLM-UHFFFAOYSA-N
MW453.58 g/mol
LogP1.61
Rot. Bonds4

About tert-butyl N-[2-[4-(morpholin-4-ylcarbamoylamino)piperidine-1-carbonyl]cyclohexyl]carbamate

tert-butyl N-[2-[4-(morpholin-4-ylcarbamoylamino)piperidine-1-carbonyl]cyclohexyl]carbamate (PubChem CID 70194445) has the molecular formula C22H39N5O5 and a molecular weight of 453.58 g/mol. Its IUPAC name is tert-butyl N-[2-[4-(morpholin-4-ylcarbamoylamino)piperidine-1-carbonyl]cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[4-(morpholin-4-ylcarbamoylamino)piperidine-1-carbonyl]cyclohexyl]carbamate
PubChem CID70194445
Molecular FormulaC22H39N5O5
Molecular Weight453.58 g/mol
Exact Mass453.30
IUPAC Nametert-butyl N-[2-[4-(morpholin-4-ylcarbamoylamino)piperidine-1-carbonyl]cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCCCC1C(=O)N1CCC(NC(=O)NN2CCOCC2)CC1
InChIInChI=1S/C22H39N5O5/c1-22(2,3)32-21(30)24-18-7-5-4-6-17(18)19(28)26-10-8-16(9-11-26)23-20(29)25-27-12-14-31-15-13-27/h16-18H,4-15H2,1-3H3,(H,24,30)(H2,23,25,29)
InChIKeyJRAVXWRYDMZXLM-UHFFFAOYSA-N
XLogP1.61
TPSA112.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.58
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[4-(morpholin-4-ylcarbamoylamino)piperidine-1-carbonyl]cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[2-[4-(morpholin-4-ylcarbamoylamino)piperidine-1-carbonyl]cyclohexyl]carbamate (CID 70194445) is tert-butyl N-[2-[4-(morpholin-4-ylcarbamoylamino)piperidine-1-carbonyl]cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[4-(morpholin-4-ylcarbamoylamino)piperidine-1-carbonyl]cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[4-(morpholin-4-ylcarbamoylamino)piperidine-1-carbonyl]cyclohexyl]carbamate is CC(C)(C)OC(=O)NC1CCCCC1C(=O)N1CCC(NC(=O)NN2CCOCC2)CC1.
What is the InChIKey of tert-butyl N-[2-[4-(morpholin-4-ylcarbamoylamino)piperidine-1-carbonyl]cyclohexyl]carbamate?
The InChIKey is JRAVXWRYDMZXLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H39N5O5/c1-22(2,3)32-21(30)24-18-7-5-4-6-17(18)19(28)26-10-8-16(9-11-26)23-20(29)25-27-12-14-31-15-13-27/h16-18H,4-15H2,1-3H3,(H,24,30)(H2,23,25,29).
What are the key properties of tert-butyl N-[2-[4-(morpholin-4-ylcarbamoylamino)piperidine-1-carbonyl]cyclohexyl]carbamate?
tert-butyl N-[2-[4-(morpholin-4-ylcarbamoylamino)piperidine-1-carbonyl]cyclohexyl]carbamate has a molecular weight of 453.58 g/mol, XLogP of 1.61, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[4-(morpholin-4-ylcarbamoylamino)piperidine-1-carbonyl]cyclohexyl]carbamate is sourced from PubChem (CID 70194445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).