tert-butyl N-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]-N-methylcarbamate

C16H26N4O3 — CID 66569722

IUPACtert-butyl N-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]-N-methylcarbamate
SMILESCOc1cc(N2CCC(N(C)C(=O)OC(C)(C)C)CC2)ncn1
InChIInChI=1S/C16H26N4O3/c1-16(2,3)23-15(21)19(4)12-6-8-20(9-7-12)13-10-14(22-5)18-11-17-13/h10-12H,6-9H2,1-5H3
InChIKeyVHNKYQZEZPOYKV-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.32
Rot. Bonds3

About tert-butyl N-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]-N-methylcarbamate

tert-butyl N-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]-N-methylcarbamate (PubChem CID 66569722) has the molecular formula C16H26N4O3 and a molecular weight of 322.41 g/mol. Its IUPAC name is tert-butyl N-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]-N-methylcarbamate
PubChem CID66569722
Molecular FormulaC16H26N4O3
Molecular Weight322.41 g/mol
Exact Mass322.20
IUPAC Nametert-butyl N-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]-N-methylcarbamate
SMILESCOc1cc(N2CCC(N(C)C(=O)OC(C)(C)C)CC2)ncn1
InChIInChI=1S/C16H26N4O3/c1-16(2,3)23-15(21)19(4)12-6-8-20(9-7-12)13-10-14(22-5)18-11-17-13/h10-12H,6-9H2,1-5H3
InChIKeyVHNKYQZEZPOYKV-UHFFFAOYSA-N
XLogP2.32
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[1-(6-methoxypyrimidin-4-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

Tert-butyl 4-[[6-[(1-methylsulfonylazetidin-3-yl)methoxy]pyrimidin-4-yl]-(trifluoromethyl)amino]piperidine-1-carboxylate
CID 164609814
Tert-butyl 4-[[6-(1-methylsulfonylpiperidin-4-yl)oxypyrimidin-4-yl]-(trifluoromethyl)amino]piperidine-1-carboxylate
CID 164616327
tert-Butyl 4-[(6-chloropyrimidin-4-yl)oxy]piperidine-1-carboxylate
CID 21906116
9-(6-Methoxypyrimidin-4-yl)-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 97471375
6-(1-methylpiperidin-4-yl)oxy-N-propan-2-ylpyrimidin-4-amine
CID 172438673
tert-butyl (3S)-3-pyrimidin-4-yloxypiperidine-1-carboxylate
CID 93533098
US10030012, Example 37
CID 78318999
Tert-butyl 4-(4-methoxypyrimidin-2-yl)piperazine-1-carboxylate
CID 8852576
1-Cyclohexyl-3-(2-((6-morpholinopyrimidin-4-yl)oxy)ethyl)urea
CID 44069692
(2R*,6S*)-4-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]-2,6-dimethylmorpholine
CID 50954831
6-ethoxy-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyrimidin-4-amine
CID 91660989
(3S)-1-(6-ethoxypyrimidin-4-yl)-3-(4-methylpiperazin-1-yl)azepane
CID 99621748

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]-N-methylcarbamate (CID 66569722) is tert-butyl N-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]-N-methylcarbamate is COc1cc(N2CCC(N(C)C(=O)OC(C)(C)C)CC2)ncn1.
What is the InChIKey of tert-butyl N-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]-N-methylcarbamate?
The InChIKey is VHNKYQZEZPOYKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3/c1-16(2,3)23-15(21)19(4)12-6-8-20(9-7-12)13-10-14(22-5)18-11-17-13/h10-12H,6-9H2,1-5H3.
What are the key properties of tert-butyl N-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]-N-methylcarbamate?
tert-butyl N-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]-N-methylcarbamate has a molecular weight of 322.41 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]-N-methylcarbamate is sourced from PubChem (CID 66569722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).