phenyl N-[1-(tert-butylcarbamoyl)piperidin-4-yl]carbamate

C17H25N3O3 — CID 110822461

IUPACphenyl N-[1-(tert-butylcarbamoyl)piperidin-4-yl]carbamate
SMILESCC(C)(C)NC(=O)N1CCC(NC(=O)Oc2ccccc2)CC1
InChIInChI=1S/C17H25N3O3/c1-17(2,3)19-15(21)20-11-9-13(10-12-20)18-16(22)23-14-7-5-4-6-8-14/h4-8,13H,9-12H2,1-3H3,(H,18,22)(H,19,21)
InChIKeySLPGWLJSAVBGSR-UHFFFAOYSA-N
MW319.40 g/mol
LogP2.75
Rot. Bonds2

About phenyl N-[1-(tert-butylcarbamoyl)piperidin-4-yl]carbamate

phenyl N-[1-(tert-butylcarbamoyl)piperidin-4-yl]carbamate (PubChem CID 110822461) has the molecular formula C17H25N3O3 and a molecular weight of 319.40 g/mol. Its IUPAC name is phenyl N-[1-(tert-butylcarbamoyl)piperidin-4-yl]carbamate.

Molecular Properties

Compound Namephenyl N-[1-(tert-butylcarbamoyl)piperidin-4-yl]carbamate
PubChem CID110822461
Molecular FormulaC17H25N3O3
Molecular Weight319.40 g/mol
Exact Mass319.19
IUPAC Namephenyl N-[1-(tert-butylcarbamoyl)piperidin-4-yl]carbamate
SMILESCC(C)(C)NC(=O)N1CCC(NC(=O)Oc2ccccc2)CC1
InChIInChI=1S/C17H25N3O3/c1-17(2,3)19-15(21)20-11-9-13(10-12-20)18-16(22)23-14-7-5-4-6-8-14/h4-8,13H,9-12H2,1-3H3,(H,18,22)(H,19,21)
InChIKeySLPGWLJSAVBGSR-UHFFFAOYSA-N
XLogP2.75
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

phenyl N-[1-(cyclopropanecarbonyl)piperidin-4-yl]carbamate
CID 60725156
benzene;phenyl N-cyclopropylcarbamate
CID 171499901
methyl 4-oxo-4-[4-(phenoxycarbonylamino)piperidin-1-yl]butanoate
CID 110819826
phenyl N-cyclopentylcarbamate
CID 12791466
phenyl N-[1-(2-sulfanylbenzoyl)piperidin-4-yl]carbamate
CID 108565830
phenyl N-cyclooctylcarbamate
CID 60636968
4-acetamido-N-tert-butylpiperidine-1-carboxamide
CID 110748466
N-[1-(tert-butylcarbamoyl)piperidin-4-yl]pyridine-2-carboxamide
CID 110822407
phenyl N-(oxan-4-yl)carbamate
CID 61067434
N-tert-butyl-4-(cyclopropanecarbonylamino)piperidine-1-carboxamide
CID 110822420
tert-butyl 4-[(4-chlorophenoxy)carbonylamino]piperidine-1-carboxylate
CID 127548323
phenyl N-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]carbamate
CID 108567349

Frequently Asked Questions

What is the IUPAC name of phenyl N-[1-(tert-butylcarbamoyl)piperidin-4-yl]carbamate?
The IUPAC name of phenyl N-[1-(tert-butylcarbamoyl)piperidin-4-yl]carbamate (CID 110822461) is phenyl N-[1-(tert-butylcarbamoyl)piperidin-4-yl]carbamate.
What is the SMILES notation for phenyl N-[1-(tert-butylcarbamoyl)piperidin-4-yl]carbamate?
The canonical SMILES for phenyl N-[1-(tert-butylcarbamoyl)piperidin-4-yl]carbamate is CC(C)(C)NC(=O)N1CCC(NC(=O)Oc2ccccc2)CC1.
What is the InChIKey of phenyl N-[1-(tert-butylcarbamoyl)piperidin-4-yl]carbamate?
The InChIKey is SLPGWLJSAVBGSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-17(2,3)19-15(21)20-11-9-13(10-12-20)18-16(22)23-14-7-5-4-6-8-14/h4-8,13H,9-12H2,1-3H3,(H,18,22)(H,19,21).
What are the key properties of phenyl N-[1-(tert-butylcarbamoyl)piperidin-4-yl]carbamate?
phenyl N-[1-(tert-butylcarbamoyl)piperidin-4-yl]carbamate has a molecular weight of 319.40 g/mol, XLogP of 2.75, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[1-(tert-butylcarbamoyl)piperidin-4-yl]carbamate is sourced from PubChem (CID 110822461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).