tert-butyl N-[1-[3-(4-propan-2-ylphenyl)propanoyl]piperidin-4-yl]carbamate

C22H34N2O3 — CID 55868243

IUPACtert-butyl N-[1-[3-(4-propan-2-ylphenyl)propanoyl]piperidin-4-yl]carbamate
SMILESCC(C)c1ccc(CCC(=O)N2CCC(NC(=O)OC(C)(C)C)CC2)cc1
InChIInChI=1S/C22H34N2O3/c1-16(2)18-9-6-17(7-10-18)8-11-20(25)24-14-12-19(13-15-24)23-21(26)27-22(3,4)5/h6-7,9-10,16,19H,8,11-15H2,1-5H3,(H,23,26)
InChIKeyRTMVKBNGXPHQAU-UHFFFAOYSA-N
MW374.53 g/mol
LogP4.26
Rot. Bonds5

About tert-butyl N-[1-[3-(4-propan-2-ylphenyl)propanoyl]piperidin-4-yl]carbamate

tert-butyl N-[1-[3-(4-propan-2-ylphenyl)propanoyl]piperidin-4-yl]carbamate (PubChem CID 55868243) has the molecular formula C22H34N2O3 and a molecular weight of 374.53 g/mol. Its IUPAC name is tert-butyl N-[1-[3-(4-propan-2-ylphenyl)propanoyl]piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[3-(4-propan-2-ylphenyl)propanoyl]piperidin-4-yl]carbamate
PubChem CID55868243
Molecular FormulaC22H34N2O3
Molecular Weight374.53 g/mol
Exact Mass374.26
IUPAC Nametert-butyl N-[1-[3-(4-propan-2-ylphenyl)propanoyl]piperidin-4-yl]carbamate
SMILESCC(C)c1ccc(CCC(=O)N2CCC(NC(=O)OC(C)(C)C)CC2)cc1
InChIInChI=1S/C22H34N2O3/c1-16(2)18-9-6-17(7-10-18)8-11-20(25)24-14-12-19(13-15-24)23-21(26)27-22(3,4)5/h6-7,9-10,16,19H,8,11-15H2,1-5H3,(H,23,26)
InChIKeyRTMVKBNGXPHQAU-UHFFFAOYSA-N
XLogP4.26
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[1-[(4-propan-2-ylphenyl)carbamoyl]piperidin-4-yl]carbamate
CID 46262425
tert-butyl N-[3-[4-[3-(4-chlorophenyl)propanoylamino]piperidin-1-yl]-3-oxopropyl]carbamate
CID 108556545
tert-butyl N-[1-[3-(4-chlorophenyl)propanoyl]piperidin-3-yl]carbamate
CID 23590477
tert-butyl N-(1-butanoylpiperidin-4-yl)carbamate
CID 52622771
tert-butyl N-[1-(3-chloropropanoyl)piperidin-4-yl]carbamate
CID 124703982
tert-butyl N-[1-[2-(4-bromophenyl)acetyl]piperidin-4-yl]carbamate
CID 55868751
4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]-4-oxobutanoic acid
CID 25250198
2-methyl-N-[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]propanamide
CID 110822595
N-[1-[3-(4-fluorophenyl)propanoyl]piperidin-4-yl]-2-methylpropanamide
CID 110822653
N-[1-[3-(4-methoxyphenyl)propanoyl]piperidin-4-yl]-2,2-dimethylpropanamide
CID 110821944
tert-butyl N-[3-[[1-[3-(3-methylphenyl)propanoyl]piperidin-4-yl]amino]-3-oxopropyl]carbamate
CID 108919706
tert-butyl N-[2-[4-[3-(4-methylphenyl)propanoyl]piperazin-1-yl]-2-oxoethyl]carbamate
CID 108532880

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[3-(4-propan-2-ylphenyl)propanoyl]piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[3-(4-propan-2-ylphenyl)propanoyl]piperidin-4-yl]carbamate (CID 55868243) is tert-butyl N-[1-[3-(4-propan-2-ylphenyl)propanoyl]piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[3-(4-propan-2-ylphenyl)propanoyl]piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[3-(4-propan-2-ylphenyl)propanoyl]piperidin-4-yl]carbamate is CC(C)c1ccc(CCC(=O)N2CCC(NC(=O)OC(C)(C)C)CC2)cc1.
What is the InChIKey of tert-butyl N-[1-[3-(4-propan-2-ylphenyl)propanoyl]piperidin-4-yl]carbamate?
The InChIKey is RTMVKBNGXPHQAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O3/c1-16(2)18-9-6-17(7-10-18)8-11-20(25)24-14-12-19(13-15-24)23-21(26)27-22(3,4)5/h6-7,9-10,16,19H,8,11-15H2,1-5H3,(H,23,26).
What are the key properties of tert-butyl N-[1-[3-(4-propan-2-ylphenyl)propanoyl]piperidin-4-yl]carbamate?
tert-butyl N-[1-[3-(4-propan-2-ylphenyl)propanoyl]piperidin-4-yl]carbamate has a molecular weight of 374.53 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[3-(4-propan-2-ylphenyl)propanoyl]piperidin-4-yl]carbamate is sourced from PubChem (CID 55868243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).