tert-butyl N-[3-[(1-benzylpiperidin-4-yl)amino]phenyl]carbamate

C23H31N3O2 — CID 68960155

IUPACtert-butyl N-[3-[(1-benzylpiperidin-4-yl)amino]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cccc(NC2CCN(Cc3ccccc3)CC2)c1
InChIInChI=1S/C23H31N3O2/c1-23(2,3)28-22(27)25-21-11-7-10-20(16-21)24-19-12-14-26(15-13-19)17-18-8-5-4-6-9-18/h4-11,16,19,24H,12-15,17H2,1-3H3,(H,25,27)
InChIKeyVUIJYGXNBPCVBN-UHFFFAOYSA-N
MW381.52 g/mol
LogP5.11
Rot. Bonds5

About tert-butyl N-[3-[(1-benzylpiperidin-4-yl)amino]phenyl]carbamate

tert-butyl N-[3-[(1-benzylpiperidin-4-yl)amino]phenyl]carbamate (PubChem CID 68960155) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is tert-butyl N-[3-[(1-benzylpiperidin-4-yl)amino]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[(1-benzylpiperidin-4-yl)amino]phenyl]carbamate
PubChem CID68960155
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC Nametert-butyl N-[3-[(1-benzylpiperidin-4-yl)amino]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cccc(NC2CCN(Cc3ccccc3)CC2)c1
InChIInChI=1S/C23H31N3O2/c1-23(2,3)28-22(27)25-21-11-7-10-20(16-21)24-19-12-14-26(15-13-19)17-18-8-5-4-6-9-18/h4-11,16,19,24H,12-15,17H2,1-3H3,(H,25,27)
InChIKeyVUIJYGXNBPCVBN-UHFFFAOYSA-N
XLogP5.11
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.52
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[3-(pyrrolidin-1-ylmethyl)phenyl]carbamate
CID 65142881
tert-butyl N-[3-[(4,4-dimethylcyclohexyl)amino]phenyl]carbamate
CID 107239837
tert-butyl N-[3-[[1-[(3-methylphenyl)methyl]piperidin-4-yl]carbamoyl]phenyl]carbamate
CID 46483260
tert-butyl N-[3-(piperidin-4-ylamino)phenyl]carbamate
CID 68961364
tert-butyl N-[(3R)-1-benzylpyrrolidin-3-yl]carbamate
CID 10286119
3-[(1-benzylpiperidin-4-yl)amino]phenol
CID 28722324
tert-butyl N-[2-[[(1-benzylpiperidin-4-yl)amino]methyl]-6-fluorophenyl]carbamate
CID 59424374
tert-butyl N-[3-(oxetan-3-ylamino)phenyl]carbamate
CID 107239827
tert-butyl N-[3-[(3,3-dimethylcyclopentyl)amino]phenyl]carbamate
CID 107239831
benzyl 3-[(3R,4S)-3-methyl-4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]anilino]piperidin-1-yl]-2-phenylpropanoate
CID 68963428
tert-butyl N-[1-(1-benzylpiperidin-4-yl)pyrrolidin-3-yl]carbamate
CID 90708252
benzyl N-[3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamate
CID 173301676

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[(1-benzylpiperidin-4-yl)amino]phenyl]carbamate?
The IUPAC name of tert-butyl N-[3-[(1-benzylpiperidin-4-yl)amino]phenyl]carbamate (CID 68960155) is tert-butyl N-[3-[(1-benzylpiperidin-4-yl)amino]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[(1-benzylpiperidin-4-yl)amino]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[(1-benzylpiperidin-4-yl)amino]phenyl]carbamate is CC(C)(C)OC(=O)Nc1cccc(NC2CCN(Cc3ccccc3)CC2)c1.
What is the InChIKey of tert-butyl N-[3-[(1-benzylpiperidin-4-yl)amino]phenyl]carbamate?
The InChIKey is VUIJYGXNBPCVBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2/c1-23(2,3)28-22(27)25-21-11-7-10-20(16-21)24-19-12-14-26(15-13-19)17-18-8-5-4-6-9-18/h4-11,16,19,24H,12-15,17H2,1-3H3,(H,25,27).
What are the key properties of tert-butyl N-[3-[(1-benzylpiperidin-4-yl)amino]phenyl]carbamate?
tert-butyl N-[3-[(1-benzylpiperidin-4-yl)amino]phenyl]carbamate has a molecular weight of 381.52 g/mol, XLogP of 5.11, 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-benzylpiperidin-4-yl)amino]phenyl]carbamate is sourced from PubChem (CID 68960155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).