tert-butyl N-[1-[4-(4-fluorobenzoyl)piperidin-1-yl]-3-phenylpropan-2-yl]carbamate

C26H33FN2O3 — CID 68815866

IUPACtert-butyl N-[1-[4-(4-fluorobenzoyl)piperidin-1-yl]-3-phenylpropan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC(Cc1ccccc1)CN1CCC(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C26H33FN2O3/c1-26(2,3)32-25(31)28-23(17-19-7-5-4-6-8-19)18-29-15-13-21(14-16-29)24(30)20-9-11-22(27)12-10-20/h4-12,21,23H,13-18H2,1-3H3,(H,28,31)
InChIKeyYQWXPYPDRDQADV-UHFFFAOYSA-N
MW440.56 g/mol
LogP4.86
Rot. Bonds7

About tert-butyl N-[1-[4-(4-fluorobenzoyl)piperidin-1-yl]-3-phenylpropan-2-yl]carbamate

tert-butyl N-[1-[4-(4-fluorobenzoyl)piperidin-1-yl]-3-phenylpropan-2-yl]carbamate (PubChem CID 68815866) has the molecular formula C26H33FN2O3 and a molecular weight of 440.56 g/mol. Its IUPAC name is tert-butyl N-[1-[4-(4-fluorobenzoyl)piperidin-1-yl]-3-phenylpropan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[4-(4-fluorobenzoyl)piperidin-1-yl]-3-phenylpropan-2-yl]carbamate
PubChem CID68815866
Molecular FormulaC26H33FN2O3
Molecular Weight440.56 g/mol
Exact Mass440.25
IUPAC Nametert-butyl N-[1-[4-(4-fluorobenzoyl)piperidin-1-yl]-3-phenylpropan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC(Cc1ccccc1)CN1CCC(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C26H33FN2O3/c1-26(2,3)32-25(31)28-23(17-19-7-5-4-6-8-19)18-29-15-13-21(14-16-29)24(30)20-9-11-22(27)12-10-20/h4-12,21,23H,13-18H2,1-3H3,(H,28,31)
InChIKeyYQWXPYPDRDQADV-UHFFFAOYSA-N
XLogP4.86
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.56
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-1-[4-(4-fluorobenzoyl)piperidin-1-yl]-3-phenylpropan-2-yl]carbamic acid
CID 139979598
tert-butyl N-[(2R)-1-[4-(4-fluorobenzoyl)piperidin-1-yl]-3-pyridin-3-ylpropan-2-yl]carbamate;(4-fluorophenyl)-piperidin-4-ylmethanone
CID 159713845
tert-butyl N-[(2R)-1-(1,3-dioxoisoindol-2-yl)-3-(4-fluorophenyl)propan-2-yl]carbamate
CID 69164075
benzyl N-[(2R)-1-[4-(4-fluorophenoxy)piperidin-1-yl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl]carbamate
CID 68577444
5-(4-fluorophenyl)-2,2-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
CID 154959396
tert-butyl N-[(2S)-1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropyl]selanyl-3-phenylpropan-2-yl]carbamate
CID 102155876
benzyl N-[1-(4-methylpiperidin-1-yl)-3-phenylpropan-2-yl]carbamate
CID 173218035
tert-butyl N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]carbamate;sulfane
CID 159653133
tert-butyl N-[(2R)-1-methoxy-3-phenylpropan-2-yl]carbamate
CID 162715602
tert-butyl N-[(1S)-1-[(2S)-4-oxoazetidin-2-yl]-2-phenylethyl]carbamate
CID 101130540
tert-butyl N-[(2R)-1-[4-[[2-(4-fluoroanilino)-2-oxoethyl]carbamoyl]piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 40944603
tert-butyl N-[(2S)-4-oxo-1-phenylbutan-2-yl]carbamate
CID 10015626

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[4-(4-fluorobenzoyl)piperidin-1-yl]-3-phenylpropan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[4-(4-fluorobenzoyl)piperidin-1-yl]-3-phenylpropan-2-yl]carbamate (CID 68815866) is tert-butyl N-[1-[4-(4-fluorobenzoyl)piperidin-1-yl]-3-phenylpropan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[4-(4-fluorobenzoyl)piperidin-1-yl]-3-phenylpropan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[4-(4-fluorobenzoyl)piperidin-1-yl]-3-phenylpropan-2-yl]carbamate is CC(C)(C)OC(=O)NC(Cc1ccccc1)CN1CCC(C(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of tert-butyl N-[1-[4-(4-fluorobenzoyl)piperidin-1-yl]-3-phenylpropan-2-yl]carbamate?
The InChIKey is YQWXPYPDRDQADV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33FN2O3/c1-26(2,3)32-25(31)28-23(17-19-7-5-4-6-8-19)18-29-15-13-21(14-16-29)24(30)20-9-11-22(27)12-10-20/h4-12,21,23H,13-18H2,1-3H3,(H,28,31).
What are the key properties of tert-butyl N-[1-[4-(4-fluorobenzoyl)piperidin-1-yl]-3-phenylpropan-2-yl]carbamate?
tert-butyl N-[1-[4-(4-fluorobenzoyl)piperidin-1-yl]-3-phenylpropan-2-yl]carbamate has a molecular weight of 440.56 g/mol, XLogP of 4.86, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[4-(4-fluorobenzoyl)piperidin-1-yl]-3-phenylpropan-2-yl]carbamate is sourced from PubChem (CID 68815866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).