benzyl 4-[(2-morpholin-4-ylphenyl)carbamoylamino]piperidine-1-carboxylate

C24H30N4O4 — CID 2813234

IUPACbenzyl 4-[(2-morpholin-4-ylphenyl)carbamoylamino]piperidine-1-carboxylate
SMILESO=C(Nc1ccccc1N1CCOCC1)NC1CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C24H30N4O4/c29-23(26-21-8-4-5-9-22(21)27-14-16-31-17-15-27)25-20-10-12-28(13-11-20)24(30)32-18-19-6-2-1-3-7-19/h1-9,20H,10-18H2,(H2,25,26,29)
InChIKeyQFDUVFRRFXMBIF-UHFFFAOYSA-N
MW438.53 g/mol
LogP3.45
Rot. Bonds5

About benzyl 4-[(2-morpholin-4-ylphenyl)carbamoylamino]piperidine-1-carboxylate

benzyl 4-[(2-morpholin-4-ylphenyl)carbamoylamino]piperidine-1-carboxylate (PubChem CID 2813234) has the molecular formula C24H30N4O4 and a molecular weight of 438.53 g/mol. Its IUPAC name is benzyl 4-[(2-morpholin-4-ylphenyl)carbamoylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-[(2-morpholin-4-ylphenyl)carbamoylamino]piperidine-1-carboxylate
PubChem CID2813234
Molecular FormulaC24H30N4O4
Molecular Weight438.53 g/mol
Exact Mass438.23
IUPAC Namebenzyl 4-[(2-morpholin-4-ylphenyl)carbamoylamino]piperidine-1-carboxylate
SMILESO=C(Nc1ccccc1N1CCOCC1)NC1CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C24H30N4O4/c29-23(26-21-8-4-5-9-22(21)27-14-16-31-17-15-27)25-20-10-12-28(13-11-20)24(30)32-18-19-6-2-1-3-7-19/h1-9,20H,10-18H2,(H2,25,26,29)
InChIKeyQFDUVFRRFXMBIF-UHFFFAOYSA-N
XLogP3.45
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl 4-[[(2S)-2-aminopropanoyl]amino]piperidine-1-carboxylate
CID 66564858
1-[2-(4-ethylpiperazin-1-yl)phenyl]-3-(oxan-4-yl)urea
CID 71940469
benzyl 4-(furan-2-carbonylamino)piperidine-1-carboxylate
CID 110821844
benzyl 4-(benzylamino)piperidine-1-carboxylate
CID 44828828
1-cyclohexyl-3-[6-(2-morpholin-4-ylanilino)pyridazin-3-yl]urea
CID 113049830
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CID 77454626
benzyl 4-(2-methylbutan-2-yloxycarbonylamino)piperidine-1-carboxylate
CID 67159227
benzyl 4-(2-aminophenyl)piperazine-1-carboxylate
CID 118318710
benzyl 4-[(2-methoxy-2-oxoethyl)amino]piperidine-1-carboxylate
CID 163554835
2-(2-aminophenyl)-N-(2-morpholin-4-ylphenyl)acetamide
CID 28712686
benzyl (4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]azepane-1-carboxylate
CID 142005504
benzyl 4-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-1-carbonyl]piperazine-1-carboxylate
CID 165176941

Frequently Asked Questions

What is the IUPAC name of benzyl 4-[(2-morpholin-4-ylphenyl)carbamoylamino]piperidine-1-carboxylate?
The IUPAC name of benzyl 4-[(2-morpholin-4-ylphenyl)carbamoylamino]piperidine-1-carboxylate (CID 2813234) is benzyl 4-[(2-morpholin-4-ylphenyl)carbamoylamino]piperidine-1-carboxylate.
What is the SMILES notation for benzyl 4-[(2-morpholin-4-ylphenyl)carbamoylamino]piperidine-1-carboxylate?
The canonical SMILES for benzyl 4-[(2-morpholin-4-ylphenyl)carbamoylamino]piperidine-1-carboxylate is O=C(Nc1ccccc1N1CCOCC1)NC1CCN(C(=O)OCc2ccccc2)CC1.
What is the InChIKey of benzyl 4-[(2-morpholin-4-ylphenyl)carbamoylamino]piperidine-1-carboxylate?
The InChIKey is QFDUVFRRFXMBIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O4/c29-23(26-21-8-4-5-9-22(21)27-14-16-31-17-15-27)25-20-10-12-28(13-11-20)24(30)32-18-19-6-2-1-3-7-19/h1-9,20H,10-18H2,(H2,25,26,29).
What are the key properties of benzyl 4-[(2-morpholin-4-ylphenyl)carbamoylamino]piperidine-1-carboxylate?
benzyl 4-[(2-morpholin-4-ylphenyl)carbamoylamino]piperidine-1-carboxylate has a molecular weight of 438.53 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-[(2-morpholin-4-ylphenyl)carbamoylamino]piperidine-1-carboxylate is sourced from PubChem (CID 2813234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).