tert-butyl N-[5-[[1-(2-phenylethyl)piperidin-4-yl]amino]pentyl]carbamate

C23H39N3O2 — CID 53320210

IUPACtert-butyl N-[5-[[1-(2-phenylethyl)piperidin-4-yl]amino]pentyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCCCNC1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C23H39N3O2/c1-23(2,3)28-22(27)25-16-9-5-8-15-24-21-13-18-26(19-14-21)17-12-20-10-6-4-7-11-20/h4,6-7,10-11,21,24H,5,8-9,12-19H2,1-3H3,(H,25,27)
InChIKeyVUIVPMSUEYWPBF-UHFFFAOYSA-N
MW389.58 g/mol
LogP3.98
Rot. Bonds10

About tert-butyl N-[5-[[1-(2-phenylethyl)piperidin-4-yl]amino]pentyl]carbamate

tert-butyl N-[5-[[1-(2-phenylethyl)piperidin-4-yl]amino]pentyl]carbamate (PubChem CID 53320210) has the molecular formula C23H39N3O2 and a molecular weight of 389.58 g/mol. Its IUPAC name is tert-butyl N-[5-[[1-(2-phenylethyl)piperidin-4-yl]amino]pentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-[[1-(2-phenylethyl)piperidin-4-yl]amino]pentyl]carbamate
PubChem CID53320210
Molecular FormulaC23H39N3O2
Molecular Weight389.58 g/mol
Exact Mass389.30
IUPAC Nametert-butyl N-[5-[[1-(2-phenylethyl)piperidin-4-yl]amino]pentyl]carbamate
SMILESCC(C)(C)OC(=O)NCCCCCNC1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C23H39N3O2/c1-23(2,3)28-22(27)25-16-9-5-8-15-24-21-13-18-26(19-14-21)17-12-20-10-6-4-7-11-20/h4,6-7,10-11,21,24H,5,8-9,12-19H2,1-3H3,(H,25,27)
InChIKeyVUIVPMSUEYWPBF-UHFFFAOYSA-N
XLogP3.98
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.58
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-[[1-(2-phenylethyl)piperidin-4-yl]amino]pentyl]carbamate?
The IUPAC name of tert-butyl N-[5-[[1-(2-phenylethyl)piperidin-4-yl]amino]pentyl]carbamate (CID 53320210) is tert-butyl N-[5-[[1-(2-phenylethyl)piperidin-4-yl]amino]pentyl]carbamate.
What is the SMILES notation for tert-butyl N-[5-[[1-(2-phenylethyl)piperidin-4-yl]amino]pentyl]carbamate?
The canonical SMILES for tert-butyl N-[5-[[1-(2-phenylethyl)piperidin-4-yl]amino]pentyl]carbamate is CC(C)(C)OC(=O)NCCCCCNC1CCN(CCc2ccccc2)CC1.
What is the InChIKey of tert-butyl N-[5-[[1-(2-phenylethyl)piperidin-4-yl]amino]pentyl]carbamate?
The InChIKey is VUIVPMSUEYWPBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H39N3O2/c1-23(2,3)28-22(27)25-16-9-5-8-15-24-21-13-18-26(19-14-21)17-12-20-10-6-4-7-11-20/h4,6-7,10-11,21,24H,5,8-9,12-19H2,1-3H3,(H,25,27).
What are the key properties of tert-butyl N-[5-[[1-(2-phenylethyl)piperidin-4-yl]amino]pentyl]carbamate?
tert-butyl N-[5-[[1-(2-phenylethyl)piperidin-4-yl]amino]pentyl]carbamate has a molecular weight of 389.58 g/mol, XLogP of 3.98, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-[[1-(2-phenylethyl)piperidin-4-yl]amino]pentyl]carbamate is sourced from PubChem (CID 53320210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).