benzyl N-[1-(2-morpholin-4-ylpyrimidine-5-carbonyl)piperidin-4-yl]carbamate

C22H27N5O4 — CID 155067904

IUPACbenzyl N-[1-(2-morpholin-4-ylpyrimidine-5-carbonyl)piperidin-4-yl]carbamate
SMILESO=C(NC1CCN(C(=O)c2cnc(N3CCOCC3)nc2)CC1)OCc1ccccc1
InChIInChI=1S/C22H27N5O4/c28-20(18-14-23-21(24-15-18)27-10-12-30-13-11-27)26-8-6-19(7-9-26)25-22(29)31-16-17-4-2-1-3-5-17/h1-5,14-15,19H,6-13,16H2,(H,25,29)
InChIKeyCOQKHCFYJTYSNX-UHFFFAOYSA-N
MW425.49 g/mol
LogP1.84
Rot. Bonds5

About benzyl N-[1-(2-morpholin-4-ylpyrimidine-5-carbonyl)piperidin-4-yl]carbamate

benzyl N-[1-(2-morpholin-4-ylpyrimidine-5-carbonyl)piperidin-4-yl]carbamate (PubChem CID 155067904) has the molecular formula C22H27N5O4 and a molecular weight of 425.49 g/mol. Its IUPAC name is benzyl N-[1-(2-morpholin-4-ylpyrimidine-5-carbonyl)piperidin-4-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[1-(2-morpholin-4-ylpyrimidine-5-carbonyl)piperidin-4-yl]carbamate
PubChem CID155067904
Molecular FormulaC22H27N5O4
Molecular Weight425.49 g/mol
Exact Mass425.21
IUPAC Namebenzyl N-[1-(2-morpholin-4-ylpyrimidine-5-carbonyl)piperidin-4-yl]carbamate
SMILESO=C(NC1CCN(C(=O)c2cnc(N3CCOCC3)nc2)CC1)OCc1ccccc1
InChIInChI=1S/C22H27N5O4/c28-20(18-14-23-21(24-15-18)27-10-12-30-13-11-27)26-8-6-19(7-9-26)25-22(29)31-16-17-4-2-1-3-5-17/h1-5,14-15,19H,6-13,16H2,(H,25,29)
InChIKeyCOQKHCFYJTYSNX-UHFFFAOYSA-N
XLogP1.84
TPSA96.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[1-(2-morpholin-4-ylpyrimidine-5-carbonyl)piperidin-4-yl]carbamate?
The IUPAC name of benzyl N-[1-(2-morpholin-4-ylpyrimidine-5-carbonyl)piperidin-4-yl]carbamate (CID 155067904) is benzyl N-[1-(2-morpholin-4-ylpyrimidine-5-carbonyl)piperidin-4-yl]carbamate.
What is the SMILES notation for benzyl N-[1-(2-morpholin-4-ylpyrimidine-5-carbonyl)piperidin-4-yl]carbamate?
The canonical SMILES for benzyl N-[1-(2-morpholin-4-ylpyrimidine-5-carbonyl)piperidin-4-yl]carbamate is O=C(NC1CCN(C(=O)c2cnc(N3CCOCC3)nc2)CC1)OCc1ccccc1.
What is the InChIKey of benzyl N-[1-(2-morpholin-4-ylpyrimidine-5-carbonyl)piperidin-4-yl]carbamate?
The InChIKey is COQKHCFYJTYSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O4/c28-20(18-14-23-21(24-15-18)27-10-12-30-13-11-27)26-8-6-19(7-9-26)25-22(29)31-16-17-4-2-1-3-5-17/h1-5,14-15,19H,6-13,16H2,(H,25,29).
What are the key properties of benzyl N-[1-(2-morpholin-4-ylpyrimidine-5-carbonyl)piperidin-4-yl]carbamate?
benzyl N-[1-(2-morpholin-4-ylpyrimidine-5-carbonyl)piperidin-4-yl]carbamate has a molecular weight of 425.49 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[1-(2-morpholin-4-ylpyrimidine-5-carbonyl)piperidin-4-yl]carbamate is sourced from PubChem (CID 155067904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).