tert-butyl N-[1-[5-(4-fluorophenyl)-4,6-dimethylpyrimidin-2-yl]piperidin-4-yl]-N-methylcarbamate

C23H31FN4O2 — CID 177361469

IUPACtert-butyl N-[1-[5-(4-fluorophenyl)-4,6-dimethylpyrimidin-2-yl]piperidin-4-yl]-N-methylcarbamate
SMILESCc1nc(N2CCC(N(C)C(=O)OC(C)(C)C)CC2)nc(C)c1-c1ccc(F)cc1
InChIInChI=1S/C23H31FN4O2/c1-15-20(17-7-9-18(24)10-8-17)16(2)26-21(25-15)28-13-11-19(12-14-28)27(6)22(29)30-23(3,4)5/h7-10,19H,11-14H2,1-6H3
InChIKeyMFZHTHYGCZBWON-UHFFFAOYSA-N
MW414.53 g/mol
LogP4.74
Rot. Bonds3

About tert-butyl N-[1-[5-(4-fluorophenyl)-4,6-dimethylpyrimidin-2-yl]piperidin-4-yl]-N-methylcarbamate

tert-butyl N-[1-[5-(4-fluorophenyl)-4,6-dimethylpyrimidin-2-yl]piperidin-4-yl]-N-methylcarbamate (PubChem CID 177361469) has the molecular formula C23H31FN4O2 and a molecular weight of 414.53 g/mol. Its IUPAC name is tert-butyl N-[1-[5-(4-fluorophenyl)-4,6-dimethylpyrimidin-2-yl]piperidin-4-yl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[5-(4-fluorophenyl)-4,6-dimethylpyrimidin-2-yl]piperidin-4-yl]-N-methylcarbamate
PubChem CID177361469
Molecular FormulaC23H31FN4O2
Molecular Weight414.53 g/mol
Exact Mass414.24
IUPAC Nametert-butyl N-[1-[5-(4-fluorophenyl)-4,6-dimethylpyrimidin-2-yl]piperidin-4-yl]-N-methylcarbamate
SMILESCc1nc(N2CCC(N(C)C(=O)OC(C)(C)C)CC2)nc(C)c1-c1ccc(F)cc1
InChIInChI=1S/C23H31FN4O2/c1-15-20(17-7-9-18(24)10-8-17)16(2)26-21(25-15)28-13-11-19(12-14-28)27(6)22(29)30-23(3,4)5/h7-10,19H,11-14H2,1-6H3
InChIKeyMFZHTHYGCZBWON-UHFFFAOYSA-N
XLogP4.74
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.53
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[1-[5-(4-fluorophenyl)-4,6-dimethylpyrimidin-2-yl]piperidin-4-yl]-N-methylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 6-[[1-[5-(4-fluorophenyl)-4,6-dimethylpyrimidin-2-yl]piperidin-4-yl]-methylamino]pyridazine-4-carboxylate
CID 177361428
tert-butyl N-methyl-N-[1-(6-methyl-2-pyridinyl)piperidin-4-yl]carbamate
CID 132508976
tert-butyl N-[1-[2,6-bis(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]-N-methylcarbamate
CID 103595911
2-(4-fluorophenyl)-3-[methyl-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexyl]amino]quinoxaline-6-carboxylic acid
CID 123437224
tert-butyl N-[1-(4-amino-2-chloro-3-fluorophenyl)pyrrolidin-3-yl]-N-methylcarbamate
CID 154070224
tert-butyl N-methyl-N-[1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-yl]piperidin-4-yl]carbamate
CID 71647229
tert-butyl N-[(3R)-1-(2-fluoro-4-nitrophenyl)pyrrolidin-3-yl]-N-methylcarbamate
CID 68991336
tert-butyl N-[1-(4-amino-2-methoxyphenyl)piperidin-4-yl]-N-methylcarbamate
CID 142621549
tert-butyl N-methyl-N-[1-(2-methylsulfonylpyrimidin-4-yl)piperidin-4-yl]carbamate
CID 66798728
tert-butyl N-methyl-N-(1-quinolin-4-ylpiperidin-4-yl)carbamate
CID 172826509
tert-butyl N-[1-(6-ethoxypyrimidin-4-yl)piperidin-4-yl]-N-methylcarbamate
CID 66569666
tert-butyl N-methyl-N-[1-(6-methylpyridazin-3-yl)azetidin-3-yl]carbamate
CID 146078134

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[5-(4-fluorophenyl)-4,6-dimethylpyrimidin-2-yl]piperidin-4-yl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[1-[5-(4-fluorophenyl)-4,6-dimethylpyrimidin-2-yl]piperidin-4-yl]-N-methylcarbamate (CID 177361469) is tert-butyl N-[1-[5-(4-fluorophenyl)-4,6-dimethylpyrimidin-2-yl]piperidin-4-yl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[1-[5-(4-fluorophenyl)-4,6-dimethylpyrimidin-2-yl]piperidin-4-yl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[1-[5-(4-fluorophenyl)-4,6-dimethylpyrimidin-2-yl]piperidin-4-yl]-N-methylcarbamate is Cc1nc(N2CCC(N(C)C(=O)OC(C)(C)C)CC2)nc(C)c1-c1ccc(F)cc1.
What is the InChIKey of tert-butyl N-[1-[5-(4-fluorophenyl)-4,6-dimethylpyrimidin-2-yl]piperidin-4-yl]-N-methylcarbamate?
The InChIKey is MFZHTHYGCZBWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31FN4O2/c1-15-20(17-7-9-18(24)10-8-17)16(2)26-21(25-15)28-13-11-19(12-14-28)27(6)22(29)30-23(3,4)5/h7-10,19H,11-14H2,1-6H3.
What are the key properties of tert-butyl N-[1-[5-(4-fluorophenyl)-4,6-dimethylpyrimidin-2-yl]piperidin-4-yl]-N-methylcarbamate?
tert-butyl N-[1-[5-(4-fluorophenyl)-4,6-dimethylpyrimidin-2-yl]piperidin-4-yl]-N-methylcarbamate has a molecular weight of 414.53 g/mol, XLogP of 4.74, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[5-(4-fluorophenyl)-4,6-dimethylpyrimidin-2-yl]piperidin-4-yl]-N-methylcarbamate is sourced from PubChem (CID 177361469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).