tert-butyl N-[1-(3-cyano-3,3-diphenylpropyl)piperidin-4-yl]carbamate

C26H33N3O2 — CID 71455851

IUPACtert-butyl N-[1-(3-cyano-3,3-diphenylpropyl)piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(CCC(C#N)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C26H33N3O2/c1-25(2,3)31-24(30)28-23-14-17-29(18-15-23)19-16-26(20-27,21-10-6-4-7-11-21)22-12-8-5-9-13-22/h4-13,23H,14-19H2,1-3H3,(H,28,30)
InChIKeyMNFMVSWNFQWLMQ-UHFFFAOYSA-N
MW419.57 g/mol
LogP4.88
Rot. Bonds6

About tert-butyl N-[1-(3-cyano-3,3-diphenylpropyl)piperidin-4-yl]carbamate

tert-butyl N-[1-(3-cyano-3,3-diphenylpropyl)piperidin-4-yl]carbamate (PubChem CID 71455851) has the molecular formula C26H33N3O2 and a molecular weight of 419.57 g/mol. Its IUPAC name is tert-butyl N-[1-(3-cyano-3,3-diphenylpropyl)piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(3-cyano-3,3-diphenylpropyl)piperidin-4-yl]carbamate
PubChem CID71455851
Molecular FormulaC26H33N3O2
Molecular Weight419.57 g/mol
Exact Mass419.26
IUPAC Nametert-butyl N-[1-(3-cyano-3,3-diphenylpropyl)piperidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCN(CCC(C#N)(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C26H33N3O2/c1-25(2,3)31-24(30)28-23-14-17-29(18-15-23)19-16-26(20-27,21-10-6-4-7-11-21)22-12-8-5-9-13-22/h4-13,23H,14-19H2,1-3H3,(H,28,30)
InChIKeyMNFMVSWNFQWLMQ-UHFFFAOYSA-N
XLogP4.88
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.57
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[7-[[1-(2-phenylethyl)piperidin-4-yl]-propanoylamino]heptyl]carbamate
CID 53316899
tert-butyl N-[9-[[1-(2-phenylethyl)piperidin-4-yl]amino]nonyl]carbamate
CID 53318204
tert-butyl N-[7-[[1-(2-phenylethyl)piperidin-4-yl]amino]heptyl]carbamate
CID 53319561
tert-butyl N-[6-[[1-(2-phenylethyl)piperidin-4-yl]amino]hexyl]carbamate
CID 53320856
tert-butyl N-[12-[[1-(2-phenylethyl)piperidin-4-yl]amino]dodecyl]carbamate
CID 53324837
tert-butyl N-[[3-[[[1-(2-phenylethyl)piperidin-4-yl]amino]methyl]phenyl]methyl]carbamate
CID 53324839
tert-butyl N-[8-[[1-(2-phenylethyl)piperidin-4-yl]amino]octyl]carbamate
CID 53326110
tert-butyl N-[(E,4S)-7,7-dibenzyl-2-methyl-8-oxo-8-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]oct-5-en-4-yl]carbamate
CID 166626310
Tert-butyl 4-(aminomethyl)-4-phenylpiperidine-1-carboxylate
CID 10565452
tert-butyl N-[8-[[1-(2-phenylethyl)piperidin-4-yl]-propanoylamino]octyl]carbamate
CID 53316900
tert-butyl N-[3-[[1-(2-phenylethyl)piperidin-4-yl]-propanoylamino]propyl]carbamate
CID 53318205
tert-butyl N-[5-[[1-(2-phenylethyl)piperidin-4-yl]amino]pentyl]carbamate
CID 53320210

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(3-cyano-3,3-diphenylpropyl)piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(3-cyano-3,3-diphenylpropyl)piperidin-4-yl]carbamate (CID 71455851) is tert-butyl N-[1-(3-cyano-3,3-diphenylpropyl)piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(3-cyano-3,3-diphenylpropyl)piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(3-cyano-3,3-diphenylpropyl)piperidin-4-yl]carbamate is CC(C)(C)OC(=O)NC1CCN(CCC(C#N)(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of tert-butyl N-[1-(3-cyano-3,3-diphenylpropyl)piperidin-4-yl]carbamate?
The InChIKey is MNFMVSWNFQWLMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O2/c1-25(2,3)31-24(30)28-23-14-17-29(18-15-23)19-16-26(20-27,21-10-6-4-7-11-21)22-12-8-5-9-13-22/h4-13,23H,14-19H2,1-3H3,(H,28,30).
What are the key properties of tert-butyl N-[1-(3-cyano-3,3-diphenylpropyl)piperidin-4-yl]carbamate?
tert-butyl N-[1-(3-cyano-3,3-diphenylpropyl)piperidin-4-yl]carbamate has a molecular weight of 419.57 g/mol, XLogP of 4.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(3-cyano-3,3-diphenylpropyl)piperidin-4-yl]carbamate is sourced from PubChem (CID 71455851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).