tert-butyl N-[3-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]carbamoyl]phenyl]carbamate

C25H33N3O3 — CID 46483260

IUPACtert-butyl N-[3-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]carbamoyl]phenyl]carbamate
SMILESCc1cccc(CN2CCC(NC(=O)c3cccc(NC(=O)OC(C)(C)C)c3)CC2)c1
InChIInChI=1S/C25H33N3O3/c1-18-7-5-8-19(15-18)17-28-13-11-21(12-14-28)26-23(29)20-9-6-10-22(16-20)27-24(30)31-25(2,3)4/h5-10,15-16,21H,11-14,17H2,1-4H3,(H,26,29)(H,27,30)
InChIKeyFMFOPIKTSOJOPN-UHFFFAOYSA-N
MW423.56 g/mol
LogP4.74
Rot. Bonds5

About tert-butyl N-[3-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]carbamoyl]phenyl]carbamate

tert-butyl N-[3-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]carbamoyl]phenyl]carbamate (PubChem CID 46483260) has the molecular formula C25H33N3O3 and a molecular weight of 423.56 g/mol. Its IUPAC name is tert-butyl N-[3-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]carbamoyl]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]carbamoyl]phenyl]carbamate
PubChem CID46483260
Molecular FormulaC25H33N3O3
Molecular Weight423.56 g/mol
Exact Mass423.25
IUPAC Nametert-butyl N-[3-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]carbamoyl]phenyl]carbamate
SMILESCc1cccc(CN2CCC(NC(=O)c3cccc(NC(=O)OC(C)(C)C)c3)CC2)c1
InChIInChI=1S/C25H33N3O3/c1-18-7-5-8-19(15-18)17-28-13-11-21(12-14-28)26-23(29)20-9-6-10-22(16-20)27-24(30)31-25(2,3)4/h5-10,15-16,21H,11-14,17H2,1-4H3,(H,26,29)(H,27,30)
InChIKeyFMFOPIKTSOJOPN-UHFFFAOYSA-N
XLogP4.74
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[3-[(1-benzylpiperidin-4-yl)amino]phenyl]carbamate
CID 68960155
tert-butyl N-[3-(pyrrolidin-1-ylmethyl)phenyl]carbamate
CID 65142881
3-benzamido-4-methyl-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]benzamide
CID 55844142
N-cyclopropyl-3-[(3-methylphenyl)methylamino]benzamide
CID 28658973
N-(1-benzylpiperidin-4-yl)-3-(carbamoylamino)benzamide
CID 29206704
3-methoxy-N-[1-[[3-(3-methylphenyl)phenyl]methyl]piperidin-4-yl]benzamide
CID 134802039
1-(4-hydroxycyclohexyl)-3-[1-[(3-methylphenyl)methyl]piperidin-4-yl]urea
CID 110892524
4-(benzenesulfonamido)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]benzamide
CID 46482229
tert-butyl N-[3-[4-[4-(3-methylphenyl)piperazin-1-yl]butylcarbamoyl]phenyl]carbamate
CID 34249305
tert-butyl N-[3-[3-(3-methylphenoxy)propylcarbamoyl]phenyl]carbamate
CID 24533397
4-(ethylsulfamoyl)-N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]benzamide
CID 46482213
tert-butyl N-[3-[[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]amino]-3-oxopropyl]carbamate
CID 55945960

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]carbamoyl]phenyl]carbamate?
The IUPAC name of tert-butyl N-[3-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]carbamoyl]phenyl]carbamate (CID 46483260) is tert-butyl N-[3-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]carbamoyl]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]carbamoyl]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]carbamoyl]phenyl]carbamate is Cc1cccc(CN2CCC(NC(=O)c3cccc(NC(=O)OC(C)(C)C)c3)CC2)c1.
What is the InChIKey of tert-butyl N-[3-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]carbamoyl]phenyl]carbamate?
The InChIKey is FMFOPIKTSOJOPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O3/c1-18-7-5-8-19(15-18)17-28-13-11-21(12-14-28)26-23(29)20-9-6-10-22(16-20)27-24(30)31-25(2,3)4/h5-10,15-16,21H,11-14,17H2,1-4H3,(H,26,29)(H,27,30).
What are the key properties of tert-butyl N-[3-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]carbamoyl]phenyl]carbamate?
tert-butyl N-[3-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]carbamoyl]phenyl]carbamate has a molecular weight of 423.56 g/mol, XLogP of 4.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]carbamoyl]phenyl]carbamate is sourced from PubChem (CID 46483260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).