tert-butyl N-[3-(piperidin-1-ylcarbamoyl)phenyl]carbamate

C17H25N3O3 — CID 9272226

IUPACtert-butyl N-[3-(piperidin-1-ylcarbamoyl)phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cccc(C(=O)NN2CCCCC2)c1
InChIInChI=1S/C17H25N3O3/c1-17(2,3)23-16(22)18-14-9-7-8-13(12-14)15(21)19-20-10-5-4-6-11-20/h7-9,12H,4-6,10-11H2,1-3H3,(H,18,22)(H,19,21)
InChIKeyIPYFUKLHCUONLV-UHFFFAOYSA-N
MW319.40 g/mol
LogP3.16
Rot. Bonds3

About tert-butyl N-[3-(piperidin-1-ylcarbamoyl)phenyl]carbamate

tert-butyl N-[3-(piperidin-1-ylcarbamoyl)phenyl]carbamate (PubChem CID 9272226) has the molecular formula C17H25N3O3 and a molecular weight of 319.40 g/mol. Its IUPAC name is tert-butyl N-[3-(piperidin-1-ylcarbamoyl)phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(piperidin-1-ylcarbamoyl)phenyl]carbamate
PubChem CID9272226
Molecular FormulaC17H25N3O3
Molecular Weight319.40 g/mol
Exact Mass319.19
IUPAC Nametert-butyl N-[3-(piperidin-1-ylcarbamoyl)phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cccc(C(=O)NN2CCCCC2)c1
InChIInChI=1S/C17H25N3O3/c1-17(2,3)23-16(22)18-14-9-7-8-13(12-14)15(21)19-20-10-5-4-6-11-20/h7-9,12H,4-6,10-11H2,1-3H3,(H,18,22)(H,19,21)
InChIKeyIPYFUKLHCUONLV-UHFFFAOYSA-N
XLogP3.16
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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tert-butyl N-[3-(tert-butylcarbamoyl)phenyl]carbamate
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tert-butyl N-[3-[(5-carbamoyl-2-piperidin-1-ylphenyl)carbamoyl]phenyl]carbamate
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tert-butyl N-[3-[[4-(methoxycarbonylamino)phenyl]carbamoyl]phenyl]carbamate
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tert-butyl N-[3-(2-methylpiperidine-1-carbonyl)phenyl]carbamate
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3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
CID 6951350
2-methyl-2-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]benzoyl]amino]propanoic acid
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[3-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamoyl]phenyl]carbamic acid
CID 18416506
tert-butyl N-[3-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]carbamate
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tert-butyl N-[3-[3-[(2S)-2-methylpiperidin-1-yl]propylcarbamoyl]phenyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(piperidin-1-ylcarbamoyl)phenyl]carbamate?
The IUPAC name of tert-butyl N-[3-(piperidin-1-ylcarbamoyl)phenyl]carbamate (CID 9272226) is tert-butyl N-[3-(piperidin-1-ylcarbamoyl)phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(piperidin-1-ylcarbamoyl)phenyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(piperidin-1-ylcarbamoyl)phenyl]carbamate is CC(C)(C)OC(=O)Nc1cccc(C(=O)NN2CCCCC2)c1.
What is the InChIKey of tert-butyl N-[3-(piperidin-1-ylcarbamoyl)phenyl]carbamate?
The InChIKey is IPYFUKLHCUONLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-17(2,3)23-16(22)18-14-9-7-8-13(12-14)15(21)19-20-10-5-4-6-11-20/h7-9,12H,4-6,10-11H2,1-3H3,(H,18,22)(H,19,21).
What are the key properties of tert-butyl N-[3-(piperidin-1-ylcarbamoyl)phenyl]carbamate?
tert-butyl N-[3-(piperidin-1-ylcarbamoyl)phenyl]carbamate has a molecular weight of 319.40 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(piperidin-1-ylcarbamoyl)phenyl]carbamate is sourced from PubChem (CID 9272226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).