tert-butyl N-[1-(6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carbonyl)piperidin-4-yl]carbamate

C18H24N4O5 — CID 55869782

IUPACtert-butyl N-[1-(6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carbonyl)piperidin-4-yl]carbamate
SMILESCc1oc2nc[nH]c(=O)c2c1C(=O)N1CCC(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C18H24N4O5/c1-10-12(13-14(23)19-9-20-15(13)26-10)16(24)22-7-5-11(6-8-22)21-17(25)27-18(2,3)4/h9,11H,5-8H2,1-4H3,(H,21,25)(H,19,20,23)
InChIKeyPOXIWZOVNCBMJG-UHFFFAOYSA-N
MW376.41 g/mol
LogP1.95
Rot. Bonds2

About tert-butyl N-[1-(6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carbonyl)piperidin-4-yl]carbamate

tert-butyl N-[1-(6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carbonyl)piperidin-4-yl]carbamate (PubChem CID 55869782) has the molecular formula C18H24N4O5 and a molecular weight of 376.41 g/mol. Its IUPAC name is tert-butyl N-[1-(6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carbonyl)piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carbonyl)piperidin-4-yl]carbamate
PubChem CID55869782
Molecular FormulaC18H24N4O5
Molecular Weight376.41 g/mol
Exact Mass376.17
IUPAC Nametert-butyl N-[1-(6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carbonyl)piperidin-4-yl]carbamate
SMILESCc1oc2nc[nH]c(=O)c2c1C(=O)N1CCC(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C18H24N4O5/c1-10-12(13-14(23)19-9-20-15(13)26-10)16(24)22-7-5-11(6-8-22)21-17(25)27-18(2,3)4/h9,11H,5-8H2,1-4H3,(H,21,25)(H,19,20,23)
InChIKeyPOXIWZOVNCBMJG-UHFFFAOYSA-N
XLogP1.95
TPSA117.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[1-(6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carbonyl)piperidin-4-yl]carbamate with MolForge

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Related Compounds

5-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexane-3-carbonyl]-6-methyl-3H-furo[2,3-d]pyrimidin-4-one
CID 166283375
5-[4-(4-chlorobenzoyl)piperazine-1-carbonyl]-6-methyl-3H-furo[2,3-d]pyrimidin-4-one
CID 55552011
6-methyl-5-[4-[4-(2-methylpropyl)benzoyl]piperidine-1-carbonyl]-3H-furo[2,3-d]pyrimidin-4-one
CID 55723104
6-methyl-5-[(3S)-3-(4-methylpyrazol-1-yl)piperidine-1-carbonyl]-3H-furo[2,3-d]pyrimidin-4-one
CID 95978664
N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
CID 55946095
tert-butyl N-[1-(2-bromo-6-methoxybenzoyl)piperidin-4-yl]carbamate
CID 171934603
4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid
CID 18784768
tert-butyl N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]carbamate
CID 55736285
tert-butyl N-[1-(6-amino-2-methylpyridine-3-carbonyl)piperidin-4-yl]carbamate
CID 155282262
tert-butyl N-(1-acetylazepan-4-yl)carbamate
CID 123656997
3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carbonyl]benzoic acid
CID 53256165
N-[1-(3,6-dimethyl-4-oxofuro[2,3-d]pyrimidine-5-carbonyl)piperidin-4-yl]-2-methylbenzamide
CID 55688895

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carbonyl)piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carbonyl)piperidin-4-yl]carbamate (CID 55869782) is tert-butyl N-[1-(6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carbonyl)piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carbonyl)piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carbonyl)piperidin-4-yl]carbamate is Cc1oc2nc[nH]c(=O)c2c1C(=O)N1CCC(NC(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-[1-(6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carbonyl)piperidin-4-yl]carbamate?
The InChIKey is POXIWZOVNCBMJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O5/c1-10-12(13-14(23)19-9-20-15(13)26-10)16(24)22-7-5-11(6-8-22)21-17(25)27-18(2,3)4/h9,11H,5-8H2,1-4H3,(H,21,25)(H,19,20,23).
What are the key properties of tert-butyl N-[1-(6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carbonyl)piperidin-4-yl]carbamate?
tert-butyl N-[1-(6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carbonyl)piperidin-4-yl]carbamate has a molecular weight of 376.41 g/mol, XLogP of 1.95, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carbonyl)piperidin-4-yl]carbamate is sourced from PubChem (CID 55869782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).