tert-butyl N-[2-[1-(4,5-dihydro-1H-imidazol-2-yl)piperidin-4-yl]ethyl]carbamate

C15H28N4O2 — CID 69153712

IUPACtert-butyl N-[2-[1-(4,5-dihydro-1H-imidazol-2-yl)piperidin-4-yl]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCC1CCN(C2=NCCN2)CC1
InChIInChI=1S/C15H28N4O2/c1-15(2,3)21-14(20)18-7-4-12-5-10-19(11-6-12)13-16-8-9-17-13/h12H,4-11H2,1-3H3,(H,16,17)(H,18,20)
InChIKeyNDPYBLFYUDUETM-UHFFFAOYSA-N
MW296.41 g/mol
LogP1.57
Rot. Bonds3

About tert-butyl N-[2-[1-(4,5-dihydro-1H-imidazol-2-yl)piperidin-4-yl]ethyl]carbamate

tert-butyl N-[2-[1-(4,5-dihydro-1H-imidazol-2-yl)piperidin-4-yl]ethyl]carbamate (PubChem CID 69153712) has the molecular formula C15H28N4O2 and a molecular weight of 296.41 g/mol. Its IUPAC name is tert-butyl N-[2-[1-(4,5-dihydro-1H-imidazol-2-yl)piperidin-4-yl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[1-(4,5-dihydro-1H-imidazol-2-yl)piperidin-4-yl]ethyl]carbamate
PubChem CID69153712
Molecular FormulaC15H28N4O2
Molecular Weight296.41 g/mol
Exact Mass296.22
IUPAC Nametert-butyl N-[2-[1-(4,5-dihydro-1H-imidazol-2-yl)piperidin-4-yl]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCC1CCN(C2=NCCN2)CC1
InChIInChI=1S/C15H28N4O2/c1-15(2,3)21-14(20)18-7-4-12-5-10-19(11-6-12)13-16-8-9-17-13/h12H,4-11H2,1-3H3,(H,16,17)(H,18,20)
InChIKeyNDPYBLFYUDUETM-UHFFFAOYSA-N
XLogP1.57
TPSA65.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[1-(4,5-dihydro-1H-imidazol-2-yl)piperidin-4-yl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[1-(4,5-dihydro-1H-imidazol-2-yl)piperidin-4-yl]ethyl]carbamate (CID 69153712) is tert-butyl N-[2-[1-(4,5-dihydro-1H-imidazol-2-yl)piperidin-4-yl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[1-(4,5-dihydro-1H-imidazol-2-yl)piperidin-4-yl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[1-(4,5-dihydro-1H-imidazol-2-yl)piperidin-4-yl]ethyl]carbamate is CC(C)(C)OC(=O)NCCC1CCN(C2=NCCN2)CC1.
What is the InChIKey of tert-butyl N-[2-[1-(4,5-dihydro-1H-imidazol-2-yl)piperidin-4-yl]ethyl]carbamate?
The InChIKey is NDPYBLFYUDUETM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O2/c1-15(2,3)21-14(20)18-7-4-12-5-10-19(11-6-12)13-16-8-9-17-13/h12H,4-11H2,1-3H3,(H,16,17)(H,18,20).
What are the key properties of tert-butyl N-[2-[1-(4,5-dihydro-1H-imidazol-2-yl)piperidin-4-yl]ethyl]carbamate?
tert-butyl N-[2-[1-(4,5-dihydro-1H-imidazol-2-yl)piperidin-4-yl]ethyl]carbamate has a molecular weight of 296.41 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[1-(4,5-dihydro-1H-imidazol-2-yl)piperidin-4-yl]ethyl]carbamate is sourced from PubChem (CID 69153712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).