tert-butyl N-[1-(6-pentan-3-ylpyrimidin-4-yl)piperidin-4-yl]carbamate

C19H32N4O2 — CID 126849680

IUPACtert-butyl N-[1-(6-pentan-3-ylpyrimidin-4-yl)piperidin-4-yl]carbamate
SMILESCCC(CC)c1cc(N2CCC(NC(=O)OC(C)(C)C)CC2)ncn1
InChIInChI=1S/C19H32N4O2/c1-6-14(7-2)16-12-17(21-13-20-16)23-10-8-15(9-11-23)22-18(24)25-19(3,4)5/h12-15H,6-11H2,1-5H3,(H,22,24)
InChIKeyNWSOLSJKBJFNSK-UHFFFAOYSA-N
MW348.49 g/mol
LogP3.87
Rot. Bonds5

About tert-butyl N-[1-(6-pentan-3-ylpyrimidin-4-yl)piperidin-4-yl]carbamate

tert-butyl N-[1-(6-pentan-3-ylpyrimidin-4-yl)piperidin-4-yl]carbamate (PubChem CID 126849680) has the molecular formula C19H32N4O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is tert-butyl N-[1-(6-pentan-3-ylpyrimidin-4-yl)piperidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(6-pentan-3-ylpyrimidin-4-yl)piperidin-4-yl]carbamate
PubChem CID126849680
Molecular FormulaC19H32N4O2
Molecular Weight348.49 g/mol
Exact Mass348.25
IUPAC Nametert-butyl N-[1-(6-pentan-3-ylpyrimidin-4-yl)piperidin-4-yl]carbamate
SMILESCCC(CC)c1cc(N2CCC(NC(=O)OC(C)(C)C)CC2)ncn1
InChIInChI=1S/C19H32N4O2/c1-6-14(7-2)16-12-17(21-13-20-16)23-10-8-15(9-11-23)22-18(24)25-19(3,4)5/h12-15H,6-11H2,1-5H3,(H,22,24)
InChIKeyNWSOLSJKBJFNSK-UHFFFAOYSA-N
XLogP3.87
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[1-(6-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-yl]carbamate
CID 126849473
tert-butyl N-[1-(6-tert-butylpyrimidin-4-yl)piperidin-4-yl]carbamate
CID 126850002
tert-butyl 4-(6-pentan-3-ylpyrimidin-4-yl)piperazine-1-carboxylate
CID 126849691
tert-butyl N-[1-[6-(2-methoxyethyl)pyrimidin-4-yl]piperidin-4-yl]carbamate
CID 126850102
tert-butyl N-[(3R)-1-(6-ethoxypyrimidin-4-yl)pyrrolidin-3-yl]carbamate
CID 133492699
tert-butyl N-[1-[6-(difluoromethyl)pyrimidin-4-yl]piperidin-3-yl]carbamate
CID 126850026
2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]pyridine-4-carboxylic acid
CID 91811778
tert-butyl N-[1-(2-methoxypyrimidin-4-yl)piperidin-4-yl]carbamate
CID 71301860
tert-butyl N-(1-quinoxalin-2-ylpiperidin-4-yl)carbamate
CID 71632141
tert-butyl N-[1-(4-butoxy-6-chloro-2-pyridinyl)piperidin-4-yl]carbamate
CID 177282726
tert-butyl N-[1-(2-amino-6-chloropyrimidin-4-yl)piperidin-4-yl]carbamate
CID 51119765
tert-butyl N-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]carbamate
CID 50986487

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(6-pentan-3-ylpyrimidin-4-yl)piperidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(6-pentan-3-ylpyrimidin-4-yl)piperidin-4-yl]carbamate (CID 126849680) is tert-butyl N-[1-(6-pentan-3-ylpyrimidin-4-yl)piperidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(6-pentan-3-ylpyrimidin-4-yl)piperidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(6-pentan-3-ylpyrimidin-4-yl)piperidin-4-yl]carbamate is CCC(CC)c1cc(N2CCC(NC(=O)OC(C)(C)C)CC2)ncn1.
What is the InChIKey of tert-butyl N-[1-(6-pentan-3-ylpyrimidin-4-yl)piperidin-4-yl]carbamate?
The InChIKey is NWSOLSJKBJFNSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O2/c1-6-14(7-2)16-12-17(21-13-20-16)23-10-8-15(9-11-23)22-18(24)25-19(3,4)5/h12-15H,6-11H2,1-5H3,(H,22,24).
What are the key properties of tert-butyl N-[1-(6-pentan-3-ylpyrimidin-4-yl)piperidin-4-yl]carbamate?
tert-butyl N-[1-(6-pentan-3-ylpyrimidin-4-yl)piperidin-4-yl]carbamate has a molecular weight of 348.49 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(6-pentan-3-ylpyrimidin-4-yl)piperidin-4-yl]carbamate is sourced from PubChem (CID 126849680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).