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

C14H24N4O3 — CID 174559371

IUPACtert-butyl N-[1-(4,5-dihydro-1H-imidazol-2-yl)piperidine-4-carbonyl]carbamate
SMILESCC(C)(C)OC(=O)NC(=O)C1CCN(C2=NCCN2)CC1
InChIInChI=1S/C14H24N4O3/c1-14(2,3)21-13(20)17-11(19)10-4-8-18(9-5-10)12-15-6-7-16-12/h10H,4-9H2,1-3H3,(H,15,16)(H,17,19,20)
InChIKeyKBRFJDJSMXMWAM-UHFFFAOYSA-N
MW296.37 g/mol
LogP0.71
Rot. Bonds1

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

tert-butyl N-[1-(4,5-dihydro-1H-imidazol-2-yl)piperidine-4-carbonyl]carbamate (PubChem CID 174559371) has the molecular formula C14H24N4O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is tert-butyl N-[1-(4,5-dihydro-1H-imidazol-2-yl)piperidine-4-carbonyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(4,5-dihydro-1H-imidazol-2-yl)piperidine-4-carbonyl]carbamate
PubChem CID174559371
Molecular FormulaC14H24N4O3
Molecular Weight296.37 g/mol
Exact Mass296.18
IUPAC Nametert-butyl N-[1-(4,5-dihydro-1H-imidazol-2-yl)piperidine-4-carbonyl]carbamate
SMILESCC(C)(C)OC(=O)NC(=O)C1CCN(C2=NCCN2)CC1
InChIInChI=1S/C14H24N4O3/c1-14(2,3)21-13(20)17-11(19)10-4-8-18(9-5-10)12-15-6-7-16-12/h10H,4-9H2,1-3H3,(H,15,16)(H,17,19,20)
InChIKeyKBRFJDJSMXMWAM-UHFFFAOYSA-N
XLogP0.71
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(4,5-dihydro-1H-imidazol-2-yl)piperidine-4-carbonyl]carbamate?
The IUPAC name of tert-butyl N-[1-(4,5-dihydro-1H-imidazol-2-yl)piperidine-4-carbonyl]carbamate (CID 174559371) is tert-butyl N-[1-(4,5-dihydro-1H-imidazol-2-yl)piperidine-4-carbonyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(4,5-dihydro-1H-imidazol-2-yl)piperidine-4-carbonyl]carbamate?
The canonical SMILES for tert-butyl N-[1-(4,5-dihydro-1H-imidazol-2-yl)piperidine-4-carbonyl]carbamate is CC(C)(C)OC(=O)NC(=O)C1CCN(C2=NCCN2)CC1.
What is the InChIKey of tert-butyl N-[1-(4,5-dihydro-1H-imidazol-2-yl)piperidine-4-carbonyl]carbamate?
The InChIKey is KBRFJDJSMXMWAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3/c1-14(2,3)21-13(20)17-11(19)10-4-8-18(9-5-10)12-15-6-7-16-12/h10H,4-9H2,1-3H3,(H,15,16)(H,17,19,20).
What are the key properties of tert-butyl N-[1-(4,5-dihydro-1H-imidazol-2-yl)piperidine-4-carbonyl]carbamate?
tert-butyl N-[1-(4,5-dihydro-1H-imidazol-2-yl)piperidine-4-carbonyl]carbamate has a molecular weight of 296.37 g/mol, XLogP of 0.71, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(4,5-dihydro-1H-imidazol-2-yl)piperidine-4-carbonyl]carbamate is sourced from PubChem (CID 174559371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).