tert-butyl N-(2-piperidin-3-yl-1H-imidazol-5-yl)carbamate

C13H22N4O2 — CID 83671970

IUPACtert-butyl N-(2-piperidin-3-yl-1H-imidazol-5-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1cnc(C2CCCNC2)[nH]1
InChIInChI=1S/C13H22N4O2/c1-13(2,3)19-12(18)17-10-8-15-11(16-10)9-5-4-6-14-7-9/h8-9,14H,4-7H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyDBFFRGZBBAFADV-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.22
Rot. Bonds2

About tert-butyl N-(2-piperidin-3-yl-1H-imidazol-5-yl)carbamate

tert-butyl N-(2-piperidin-3-yl-1H-imidazol-5-yl)carbamate (PubChem CID 83671970) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is tert-butyl N-(2-piperidin-3-yl-1H-imidazol-5-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-piperidin-3-yl-1H-imidazol-5-yl)carbamate
PubChem CID83671970
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Nametert-butyl N-(2-piperidin-3-yl-1H-imidazol-5-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1cnc(C2CCCNC2)[nH]1
InChIInChI=1S/C13H22N4O2/c1-13(2,3)19-12(18)17-10-8-15-11(16-10)9-5-4-6-14-7-9/h8-9,14H,4-7H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyDBFFRGZBBAFADV-UHFFFAOYSA-N
XLogP2.22
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-(2-piperidin-3-yl-4-pyridinyl)carbamate
CID 132550440
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tert-butyl N-[[(3R)-piperidin-3-yl]amino]carbamate
CID 71023711
tert-butyl N-[5-(azepan-4-ylamino)-2-pyridinyl]carbamate
CID 86775642
tert-butyl N-[4-methoxy-2-(piperidin-3-ylamino)phenyl]carbamate
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tert-butyl N-(2-pyrrolidin-3-ylphenyl)carbamate
CID 83902120
tert-butyl N-[4-[4-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)phenyl]phenyl]carbamate
CID 141363740
tert-butyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazin-2-yl]carbamate
CID 11012344
tert-butyl N-(2-piperidin-3-ylpropan-2-yl)carbamate
CID 90190140
tert-butyl 5-piperidin-3-yl-3,4-dihydro-2H-pyridine-1-carboxylate
CID 172561153
tert-butyl N-(5-amino-1H-imidazol-2-yl)carbamate
CID 70162859

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-piperidin-3-yl-1H-imidazol-5-yl)carbamate?
The IUPAC name of tert-butyl N-(2-piperidin-3-yl-1H-imidazol-5-yl)carbamate (CID 83671970) is tert-butyl N-(2-piperidin-3-yl-1H-imidazol-5-yl)carbamate.
What is the SMILES notation for tert-butyl N-(2-piperidin-3-yl-1H-imidazol-5-yl)carbamate?
The canonical SMILES for tert-butyl N-(2-piperidin-3-yl-1H-imidazol-5-yl)carbamate is CC(C)(C)OC(=O)Nc1cnc(C2CCCNC2)[nH]1.
What is the InChIKey of tert-butyl N-(2-piperidin-3-yl-1H-imidazol-5-yl)carbamate?
The InChIKey is DBFFRGZBBAFADV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-13(2,3)19-12(18)17-10-8-15-11(16-10)9-5-4-6-14-7-9/h8-9,14H,4-7H2,1-3H3,(H,15,16)(H,17,18).
What are the key properties of tert-butyl N-(2-piperidin-3-yl-1H-imidazol-5-yl)carbamate?
tert-butyl N-(2-piperidin-3-yl-1H-imidazol-5-yl)carbamate has a molecular weight of 266.34 g/mol, XLogP of 2.22, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-piperidin-3-yl-1H-imidazol-5-yl)carbamate is sourced from PubChem (CID 83671970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).