tert-butyl 4-[phenyl(propan-2-yl)carbamoyl]piperidine-1-carboxylate

C20H30N2O3 — CID 123747979

IUPACtert-butyl 4-[phenyl(propan-2-yl)carbamoyl]piperidine-1-carboxylate
SMILESCC(C)N(C(=O)C1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1
InChIInChI=1S/C20H30N2O3/c1-15(2)22(17-9-7-6-8-10-17)18(23)16-11-13-21(14-12-16)19(24)25-20(3,4)5/h6-10,15-16H,11-14H2,1-5H3
InChIKeyGSEPUPWXILTZTF-UHFFFAOYSA-N
MW346.47 g/mol
LogP4.08
Rot. Bonds3

About tert-butyl 4-[phenyl(propan-2-yl)carbamoyl]piperidine-1-carboxylate

tert-butyl 4-[phenyl(propan-2-yl)carbamoyl]piperidine-1-carboxylate (PubChem CID 123747979) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is tert-butyl 4-[phenyl(propan-2-yl)carbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[phenyl(propan-2-yl)carbamoyl]piperidine-1-carboxylate
PubChem CID123747979
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Nametert-butyl 4-[phenyl(propan-2-yl)carbamoyl]piperidine-1-carboxylate
SMILESCC(C)N(C(=O)C1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1
InChIInChI=1S/C20H30N2O3/c1-15(2)22(17-9-7-6-8-10-17)18(23)16-11-13-21(14-12-16)19(24)25-20(3,4)5/h6-10,15-16H,11-14H2,1-5H3
InChIKeyGSEPUPWXILTZTF-UHFFFAOYSA-N
XLogP4.08
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-[(4-chlorophenoxy)-phenylcarbamoyl]piperidine-1-carboxylate
CID 87136188
tert-butyl 4-[(2-fluorophenyl)methyl-propan-2-ylcarbamoyl]piperidine-1-carboxylate
CID 71632883
tert-butyl 4-[[(1R)-1-phenylethyl]carbamoyl]piperidine-1-carboxylate
CID 7323759
1-O-tert-butyl 4-O-[(1S)-1-phenylethyl] piperidine-1,4-dicarboxylate
CID 138393461
tert-butyl 4-(N-benzylanilino)piperidine-1-carboxylate
CID 118798320
tert-butyl 4-[(2-bromophenyl)-methylcarbamoyl]piperidine-1-carboxylate
CID 12027636
tert-butyl 3-(1,1-diphenylethyl)pyrrolidine-1-carboxylate
CID 174192656
tert-butyl 4-(1,1-difluoro-2-oxo-2-phenylethyl)piperidine-1-carboxylate
CID 155929643
tert-butyl 4-(1,3-dihydroisoindole-2-carbonyl)piperidine-1-carboxylate
CID 169094693
tert-butyl 4-[hydroxy(phenyl)methyl]piperidine-1-carboxylate
CID 11818626
tert-butyl 4-(2-pyridin-2-ylacetyl)piperidine-1-carboxylate
CID 46941819
3-[acetyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]amino]benzoic acid
CID 146197469

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[phenyl(propan-2-yl)carbamoyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[phenyl(propan-2-yl)carbamoyl]piperidine-1-carboxylate (CID 123747979) is tert-butyl 4-[phenyl(propan-2-yl)carbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[phenyl(propan-2-yl)carbamoyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[phenyl(propan-2-yl)carbamoyl]piperidine-1-carboxylate is CC(C)N(C(=O)C1CCN(C(=O)OC(C)(C)C)CC1)c1ccccc1.
What is the InChIKey of tert-butyl 4-[phenyl(propan-2-yl)carbamoyl]piperidine-1-carboxylate?
The InChIKey is GSEPUPWXILTZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-15(2)22(17-9-7-6-8-10-17)18(23)16-11-13-21(14-12-16)19(24)25-20(3,4)5/h6-10,15-16H,11-14H2,1-5H3.
What are the key properties of tert-butyl 4-[phenyl(propan-2-yl)carbamoyl]piperidine-1-carboxylate?
tert-butyl 4-[phenyl(propan-2-yl)carbamoyl]piperidine-1-carboxylate has a molecular weight of 346.47 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[phenyl(propan-2-yl)carbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 123747979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).